S-[2-[2-[(3-oxidanylidene-3-phenyl-propanethioyl)amino]ethanoylamino]ethyl] benzenecarbothioate

Systemtic Name: S-[2-[2-[(3-oxidanylidene-3-phenyl-propanethioyl)amino]ethanoylamino]ethyl] benzenecarbothioate Openeye Name: S-[2-[[2-[(3-oxo-3-phenyl-propanethioyl)amino]acetyl]amino]ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-[[1-oxo-2-[(3-oxo-3-phenyl-1-sulfanylidenepropyl)amino]ethyl]amino]ethyl] ester IUPAC Name: S-[2-[[2-[(3-oxo-3-phenylpropanethioyl)amino]acetyl]amino]ethyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-[[2-[(3-keto-3-phenyl-propanethioyl)amino]acetyl]amino]ethyl] ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CC(=S)NCC(=O)NCCSC(=O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CC(=S)NCC(=O)NCCSC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H20N2O3S2/c23-17(15-7-3-1-4-8-15)13-19(26)22-14-18(24)21-11-12-27-20(25)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,21,24)(H,22,26)