4-(2-benzamidopyridin-4-yl)-2-(ethylamino)-N-(phenylmethyl)-5-(phenylmethylsulfanyl)thiophene-3-carboxamide

Systemtic Name: 4-(2-benzamidopyridin-4-yl)-2-(ethylamino)-N-(phenylmethyl)-5-(phenylmethylsulfanyl)thiophene-3-carboxamide Openeye Name: 4-(2-benzamido-4-pyridyl)-N-benzyl-5-benzylsulfanyl-2-(ethylamino)thiophene-3-carboxamide CAS Name: 4-(2-benzamido-4-pyridinyl)-2-(ethylamino)-N-(phenylmethyl)-5-(phenylmethylthio)-3-thiophenecarboxamide IUPAC Name: 4-(2-benzamidopyridin-4-yl)-N-benzyl-5-benzylsulfanyl-2-(ethylamino)thiophene-3-carboxamide Traditional Name: 4-(2-benzamido-4-pyridyl)-N-benzyl-5-(benzylthio)-2-(ethylamino)thiophene-3-carboxamide Formula: C33H30N4O2S2 MolecularWeight: 578.7469

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C(=C(S1)SCC2=CC=CC=C2)C3=CC(=NC=C3)NC(=O)C4=CC=CC=C4)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

CCNC1=C(C(=C(S1)SCC2=CC=CC=C2)C3=CC(=NC=C3)NC(=O)C4=CC=CC=C4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C33H30N4O2S2/c1-2-34-32-29(31(39)36-21-23-12-6-3-7-13-23)28(33(41-32)40-22-24-14-8-4-9-15-24)26-18-19-35-27(20-26)37-30(38)25-16-10-5-11-17-25/h3-20,34H,2,21-22H2,1H3,(H,36,39)(H,35,37,38)