4-azanyl-N-[(4-chlorophenyl)methyl]-2-[(2-methylphenyl)amino]-5-(3-nitrophenyl)carbonyl-thiophene-3-carboxamide

Systemtic Name: 4-azanyl-N-[(4-chlorophenyl)methyl]-2-[(2-methylphenyl)amino]-5-(3-nitrophenyl)carbonyl-thiophene-3-carboxamide Openeye Name: 4-amino-N-[(4-chlorophenyl)methyl]-2-(2-methylanilino)-5-(3-nitrobenzoyl)thiophene-3-carboxamide CAS Name: 4-amino-N-[(4-chlorophenyl)methyl]-2-(2-methylanilino)-5-[(3-nitrophenyl)-oxomethyl]-3-thiophenecarboxamide IUPAC Name: 4-amino-N-[(4-chlorophenyl)methyl]-2-(2-methylanilino)-5-(3-nitrobenzoyl)thiophene-3-carboxamide Traditional Name: 4-amino-N-(4-chlorobenzyl)-5-(3-nitrobenzoyl)-2-(o-toluidino)thiophene-3-carboxamide Formula: C26H21ClN4O4S MolecularWeight: 520.98734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C(C(=C(S2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])N)C(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=CC=C1NC2=C(C(=C(S2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])N)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H21ClN4O4S/c1-15-5-2-3-8-20(15)30-26-21(25(33)29-14-16-9-11-18(27)12-10-16)22(28)24(36-26)23(32)17-6-4-7-19(13-17)31(34)35/h2-13,30H,14,28H2,1H3,(H,29,33)