2-[[3-[[bis(2-oxidanylpropyl)amino]methyl]phenyl]carbonylamino]-N-[(E)-[4-chloranyl-3-(trifluoromethyl)phenyl]methylideneamino]-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[[3-[[bis(2-oxidanylpropyl)amino]methyl]phenyl]carbonylamino]-N-[(E)-[4-chloranyl-3-(trifluoromethyl)phenyl]methylideneamino]-1-benzothiophene-3-carboxamide Openeye Name: 2-[[3-[[bis(2-hydroxypropyl)amino]methyl]benzoyl]amino]-N-[(E)-[4-chloro-3-(trifluoromethyl)phenyl]methyleneamino]benzothiophene-3-carboxamide CAS Name: 2-[[[3-[[bis(2-hydroxypropyl)amino]methyl]phenyl]-oxomethyl]amino]-N-[(E)-[4-chloro-3-(trifluoromethyl)phenyl]methylideneamino]-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[3-[[bis(2-hydroxypropyl)amino]methyl]benzoyl]amino]-N-[(E)-[4-chloro-3-(trifluoromethyl)phenyl]methylideneamino]-1-benzothiophene-3-carboxamide Traditional Name: 2-[[3-[[bis(2-hydroxypropyl)amino]methyl]benzoyl]amino]-N-[(E)-[4-chloro-3-(trifluoromethyl)benzylidene]amino]benzothiophene-3-carboxamide Formula: C31H30ClF3N4O4S MolecularWeight: 647.10751

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(CC1=CC=CC(=C1)C(=O)NC2=C(C3=CC=CC=C3S2)C(=O)NN=CC4=CC(=C(C=C4)Cl)C(F)(F)F)CC(C)O)O

Isomeric SMILES

CC(CN(CC1=CC=CC(=C1)C(=O)NC2=C(C3=CC=CC=C3S2)C(=O)N/N=C/C4=CC(=C(C=C4)Cl)C(F)(F)F)CC(C)O)O

InChI

InChI=1S/C31H30ClF3N4O4S/c1-18(40)15-39(16-19(2)41)17-21-6-5-7-22(12-21)28(42)37-30-27(23-8-3-4-9-26(23)44-30)29(43)38-36-14-20-10-11-25(32)24(13-20)31(33,34)35/h3-14,18-19,40-41H,15-17H2,1-2H3,(H,37,42)(H,38,43)/b36-14+