S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl] 3-chloranylbenzenecarbothioate

Systemtic Name: S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl] 3-chloranylbenzenecarbothioate Openeye Name: S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] 3-chlorobenzenecarbothioate CAS Name: 3-chlorobenzenecarbothioic acid S-[2-[[(3-amino-3-oxopropyl)amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl] 3-chlorobenzenecarbothioate Traditional Name: 3-chlorothiobenzoic acid S-[2-[(3-amino-3-keto-propyl)carbamoyl]phenyl] ester Formula: C17H15ClN2O3S MolecularWeight: 362.8306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2O3S/c18-12-5-3-4-11(10-12)17(23)24-14-7-2-1-6-13(14)16(22)20-9-8-15(19)21/h1-7,10H,8-9H2,(H2,19,21)(H,20,22)