(2-benzamido-3-phenyl-propyl) carbamimidothioate hydrochloride

Systemtic Name: (2-benzamido-3-phenyl-propyl) carbamimidothioate hydrochloride Openeye Name: N-(1-benzyl-2-carbamimidoylsulfanyl-ethyl)benzamide hydrochloride CAS Name: carbamimidothioic acid (2-benzamido-3-phenylpropyl) ester hydrochloride IUPAC Name: (2-benzamido-3-phenylpropyl) carbamimidothioate hydrochloride Traditional Name: N-[1-[(amidinothio)methyl]-2-phenyl-ethyl]benzamide hydrochloride Formula: C17H20ClN3OS MolecularWeight: 349.8782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CSC(=N)N)NC(=O)C2=CC=CC=C2.Cl

Isomeric SMILES

C1=CC=C(C=C1)CC(CSC(=N)N)NC(=O)C2=CC=CC=C2.Cl

InChI

InChI=1S/C17H19N3OS.ClH/c18-17(19)22-12-15(11-13-7-3-1-4-8-13)20-16(21)14-9-5-2-6-10-14;/h1-10,15H,11-12H2,(H3,18,19)(H,20,21);1H