4-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-5-(4-chlorophenyl)carbonyl-2-[(4-methylphenyl)amino]thiophene-3-carboxamide

Systemtic Name: 4-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-5-(4-chlorophenyl)carbonyl-2-[(4-methylphenyl)amino]thiophene-3-carboxamide Openeye Name: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-(4-chlorobenzoyl)-2-(4-methylanilino)thiophene-3-carboxamide CAS Name: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-[(4-chlorophenyl)-oxomethyl]-2-(4-methylanilino)-3-thiophenecarboxamide IUPAC Name: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-(4-chlorobenzoyl)-2-(4-methylanilino)thiophene-3-carboxamide Traditional Name: 4-amino-5-(4-chlorobenzoyl)-N-piperonyl-2-(p-toluidino)thiophene-3-carboxamide Formula: C27H22ClN3O4S MolecularWeight: 519.99928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)C3=CC=C(C=C3)Cl)N)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)C3=CC=C(C=C3)Cl)N)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H22ClN3O4S/c1-15-2-9-19(10-3-15)31-27-22(23(29)25(36-27)24(32)17-5-7-18(28)8-6-17)26(33)30-13-16-4-11-20-21(12-16)35-14-34-20/h2-12,31H,13-14,29H2,1H3,(H,30,33)