S-[3-[(3-aminocarbonylphenyl)amino]-3-oxidanylidene-2-(phenylmethyl)propyl] benzenecarbothioate

Systemtic Name: S-[3-[(3-aminocarbonylphenyl)amino]-3-oxidanylidene-2-(phenylmethyl)propyl] benzenecarbothioate Openeye Name: S-[2-benzyl-3-(3-carbamoylanilino)-3-oxo-propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[3-(3-carbamoylanilino)-3-oxo-2-(phenylmethyl)propyl] ester IUPAC Name: S-[2-benzyl-3-(3-carbamoylanilino)-3-oxopropyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-benzyl-3-(3-carbamoylanilino)-3-keto-propyl] ester Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CSC(=O)C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(CSC(=O)C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(=O)N

InChI

InChI=1S/C24H22N2O3S/c25-22(27)19-12-7-13-21(15-19)26-23(28)20(14-17-8-3-1-4-9-17)16-30-24(29)18-10-5-2-6-11-18/h1-13,15,20H,14,16H2,(H2,25,27)(H,26,28)