S-(2-acetamido-3-phenyl-propyl) 3-chloranylbenzenecarbothioate

Systemtic Name: S-(2-acetamido-3-phenyl-propyl) 3-chloranylbenzenecarbothioate Openeye Name: S-(2-acetamido-3-phenyl-propyl) 3-chlorobenzenecarbothioate CAS Name: 3-chlorobenzenecarbothioic acid S-(2-acetamido-3-phenylpropyl) ester IUPAC Name: S-(2-acetamido-3-phenylpropyl) 3-chlorobenzenecarbothioate Traditional Name: 3-chlorothiobenzoic acid S-(2-acetamido-3-phenyl-propyl) ester Formula: C18H18ClNO2S MolecularWeight: 347.85902

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC=C1)CSC(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC(=O)NC(CC1=CC=CC=C1)CSC(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H18ClNO2S/c1-13(21)20-17(10-14-6-3-2-4-7-14)12-23-18(22)15-8-5-9-16(19)11-15/h2-9,11,17H,10,12H2,1H3,(H,20,21)