[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(butylamino)benzoate

Systemtic Name: [2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(butylamino)benzoate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl] 2-(butylamino)benzoate CAS Name: 2-(butylamino)benzoic acid [2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(butylamino)benzoate Traditional Name: 2-(butylamino)benzoic acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=CC=C1C(=O)OCC(=O)NC2=C(C=CS2)C(=O)N

Isomeric SMILES

CCCCNC1=CC=CC=C1C(=O)OCC(=O)NC2=C(C=CS2)C(=O)N

InChI

InChI=1S/C18H21N3O4S/c1-2-3-9-20-14-7-5-4-6-12(14)18(24)25-11-15(22)21-17-13(16(19)23)8-10-26-17/h4-8,10,20H,2-3,9,11H2,1H3,(H2,19,23)(H,21,22)