propyl 4-(4-butylphenyl)-2-[(4-chlorophenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: propyl 4-(4-butylphenyl)-2-[(4-chlorophenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: propyl 4-(4-butylphenyl)-2-[(4-chlorobenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-butylphenyl)-2-[[(4-chlorophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 4-(4-butylphenyl)-2-[(4-chlorobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-butylphenyl)-2-[(4-chlorobenzoyl)amino]thiophene-3-carboxylic acid propyl ester Formula: C25H26ClNO3S MolecularWeight: 455.99684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCCC)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCCC)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H26ClNO3S/c1-3-5-6-17-7-9-18(10-8-17)21-16-31-24(22(21)25(29)30-15-4-2)27-23(28)19-11-13-20(26)14-12-19/h7-14,16H,3-6,15H2,1-2H3,(H,27,28)