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

Systemtic Name: S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl] benzenecarbothioate Openeye Name: S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-[[(3-amino-3-oxopropyl)amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-[(3-amino-3-keto-propyl)carbamoyl]phenyl] ester Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SC2=CC=CC=C2C(=O)NCCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SC2=CC=CC=C2C(=O)NCCC(=O)N

InChI

InChI=1S/C17H16N2O3S/c18-15(20)10-11-19-16(21)13-8-4-5-9-14(13)23-17(22)12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,18,20)(H,19,21)