S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]-5-chloranyl-phenyl] 2-phenylethanethioate

Systemtic Name: S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]-5-chloranyl-phenyl] 2-phenylethanethioate Openeye Name: S-[2-[(3-amino-3-oxo-propyl)carbamoyl]-5-chloro-phenyl] 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-[2-[[(3-amino-3-oxopropyl)amino]-oxomethyl]-5-chlorophenyl] ester IUPAC Name: S-[2-[(3-amino-3-oxopropyl)carbamoyl]-5-chlorophenyl] 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-[2-[(3-amino-3-keto-propyl)carbamoyl]-5-chloro-phenyl] ester Formula: C18H17ClN2O3S MolecularWeight: 376.85718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)SC2=C(C=CC(=C2)Cl)C(=O)NCCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)SC2=C(C=CC(=C2)Cl)C(=O)NCCC(=O)N

InChI

InChI=1S/C18H17ClN2O3S/c19-13-6-7-14(18(24)21-9-8-16(20)22)15(11-13)25-17(23)10-12-4-2-1-3-5-12/h1-7,11H,8-10H2,(H2,20,22)(H,21,24)