N-[(E)-[4-chloranyl-3-(trifluoromethyl)phenyl]methylideneamino]-2-[[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-[(E)-[4-chloranyl-3-(trifluoromethyl)phenyl]methylideneamino]-2-[[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-[(E)-[4-chloro-3-(trifluoromethyl)phenyl]methyleneamino]-2-[[3-[[4-(hydroxymethyl)-1-piperidyl]methyl]benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[(E)-[4-chloro-3-(trifluoromethyl)phenyl]methylideneamino]-2-[[[3-[[4-(hydroxymethyl)-1-piperidinyl]methyl]phenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[(E)-[4-chloro-3-(trifluoromethyl)phenyl]methylideneamino]-2-[[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-[(E)-[4-chloro-3-(trifluoromethyl)benzylidene]amino]-2-[[3-[(4-methylolpiperidino)methyl]benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C31H32ClF3N4O3S MolecularWeight: 633.12399

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=CC=C3)CN4CCC(CC4)CO)C(=O)NN=CC5=CC(=C(C=C5)Cl)C(F)(F)F

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=CC=C3)CN4CCC(CC4)CO)C(=O)N/N=C/C5=CC(=C(C=C5)Cl)C(F)(F)F

InChI

InChI=1S/C31H32ClF3N4O3S/c32-25-9-8-20(15-24(25)31(33,34)35)16-36-38-29(42)27-23-6-1-2-7-26(23)43-30(27)37-28(41)22-5-3-4-21(14-22)17-39-12-10-19(18-40)11-13-39/h3-5,8-9,14-16,19,40H,1-2,6-7,10-13,17-18H2,(H,37,41)(H,38,42)/b36-16+