[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: [2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: [2-[(2-amino-2-oxo-ethyl)amino]-2-oxo-ethyl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-chlorophenyl)thio]methyl]benzoic acid [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]benzoic acid [2-[(2-amino-2-keto-ethyl)amino]-2-keto-ethyl] ester Formula: C18H17ClN2O4S MolecularWeight: 392.85658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=CC=C(C=C2)Cl)C(=O)OCC(=O)NCC(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=CC=C(C=C2)Cl)C(=O)OCC(=O)NCC(=O)N

InChI

InChI=1S/C18H17ClN2O4S/c19-14-4-6-15(7-5-14)26-11-12-2-1-3-13(8-12)18(24)25-10-17(23)21-9-16(20)22/h1-8H,9-11H2,(H2,20,22)(H,21,23)