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

Systemtic Name: S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl] 3-nitrobenzenecarbothioate Openeye Name: S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] 3-nitrobenzenecarbothioate CAS Name: 3-nitrobenzenecarbothioic acid S-[2-[[(3-amino-3-oxopropyl)amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl] 3-nitrobenzenecarbothioate Traditional Name: 3-nitrothiobenzoic acid S-[2-[(3-amino-3-keto-propyl)carbamoyl]phenyl] ester Formula: C17H15N3O5S MolecularWeight: 373.3831

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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)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCC(=O)N)SC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O5S/c18-15(21)8-9-19-16(22)13-6-1-2-7-14(13)26-17(23)11-4-3-5-12(10-11)20(24)25/h1-7,10H,8-9H2,(H2,18,21)(H,19,22)