(3-oxidanylidene-3-phenylazanyl-propyl) carbamimidothioate hydrobromide

Systemtic Name: (3-oxidanylidene-3-phenylazanyl-propyl) carbamimidothioate hydrobromide Openeye Name: 3-carbamimidoylsulfanyl-N-phenyl-propanamide hydrobromide CAS Name: carbamimidothioic acid (3-anilino-3-oxopropyl) ester hydrobromide IUPAC Name: (3-anilino-3-oxopropyl) carbamimidothioate hydrobromide Traditional Name: 3-(amidinothio)-N-phenyl-propionamide hydrobromide Formula: C10H14BrN3OS MolecularWeight: 304.20666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CCSC(=N)N.Br

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CCSC(=N)N.Br

InChI

InChI=1S/C10H13N3OS.BrH/c11-10(12)15-7-6-9(14)13-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H3,11,12)(H,13,14);1H