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

Systemtic Name: 2-[[3-[[bis(2-oxidanylpropyl)amino]methyl]phenyl]carbonylamino]-N-[(E)-[4-chloranyl-3-(trifluoromethyl)phenyl]methylideneamino]thiophene-3-carboxamide Openeye Name: 2-[[3-[[bis(2-hydroxypropyl)amino]methyl]benzoyl]amino]-N-[(E)-[4-chloro-3-(trifluoromethyl)phenyl]methyleneamino]thiophene-3-carboxamide CAS Name: 2-[[[3-[[bis(2-hydroxypropyl)amino]methyl]phenyl]-oxomethyl]amino]-N-[(E)-[4-chloro-3-(trifluoromethyl)phenyl]methylideneamino]-3-thiophenecarboxamide IUPAC Name: 2-[[3-[[bis(2-hydroxypropyl)amino]methyl]benzoyl]amino]-N-[(E)-[4-chloro-3-(trifluoromethyl)phenyl]methylideneamino]thiophene-3-carboxamide Traditional Name: 2-[[3-[[bis(2-hydroxypropyl)amino]methyl]benzoyl]amino]-N-[(E)-[4-chloro-3-(trifluoromethyl)benzylidene]amino]thiophene-3-carboxamide Formula: C27H28ClF3N4O4S MolecularWeight: 597.04883

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(CC1=CC=CC(=C1)C(=O)NC2=C(C=CS2)C(=O)NN=CC3=CC(=C(C=C3)Cl)C(F)(F)F)CC(C)O)O

Isomeric SMILES

CC(CN(CC1=CC=CC(=C1)C(=O)NC2=C(C=CS2)C(=O)N/N=C/C3=CC(=C(C=C3)Cl)C(F)(F)F)CC(C)O)O

InChI

InChI=1S/C27H28ClF3N4O4S/c1-16(36)13-35(14-17(2)37)15-19-4-3-5-20(10-19)24(38)33-26-21(8-9-40-26)25(39)34-32-12-18-6-7-23(28)22(11-18)27(29,30)31/h3-12,16-17,36-37H,13-15H2,1-2H3,(H,33,38)(H,34,39)/b32-12+