S-[2-[[2-(2-methylpropanoylamino)-3-sulfanyl-propanoyl]amino]ethyl] benzenecarbothioate

Systemtic Name: S-[2-[[2-(2-methylpropanoylamino)-3-sulfanyl-propanoyl]amino]ethyl] benzenecarbothioate Openeye Name: S-[2-[[2-(2-methylpropanoylamino)-3-sulfanyl-propanoyl]amino]ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-[[3-mercapto-2-[(2-methyl-1-oxopropyl)amino]-1-oxopropyl]amino]ethyl] ester IUPAC Name: S-[2-[[2-(2-methylpropanoylamino)-3-sulfanylpropanoyl]amino]ethyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-[[2-(isobutyrylamino)-3-mercapto-propanoyl]amino]ethyl] ester Formula: C16H22N2O3S2 MolecularWeight: 354.48748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(CS)C(=O)NCCSC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)C(=O)NC(CS)C(=O)NCCSC(=O)C1=CC=CC=C1

InChI

InChI=1S/C16H22N2O3S2/c1-11(2)14(19)18-13(10-22)15(20)17-8-9-23-16(21)12-6-4-3-5-7-12/h3-7,11,13,22H,8-10H2,1-2H3,(H,17,20)(H,18,19)