S-[2-[(3-azanyl-3-oxidanylidene-propyl)amino]ethyl] benzenecarbothioate

Systemtic Name: S-[2-[(3-azanyl-3-oxidanylidene-propyl)amino]ethyl] benzenecarbothioate Openeye Name: S-[2-[(3-amino-3-oxo-propyl)amino]ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-[(3-amino-3-oxopropyl)amino]ethyl] ester IUPAC Name: S-[2-[(3-amino-3-oxopropyl)amino]ethyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-[(3-amino-3-keto-propyl)amino]ethyl] ester Formula: C12H16N2O2S MolecularWeight: 252.33264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SCCNCCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SCCNCCC(=O)N

InChI

InChI=1S/C12H16N2O2S/c13-11(15)6-7-14-8-9-17-12(16)10-4-2-1-3-5-10/h1-5,14H,6-9H2,(H2,13,15)