S-(phenylmethyl) 4-[bis(azanyl)methylideneamino]benzenecarbothioate hydrochloride

Systemtic Name: S-(phenylmethyl) 4-[bis(azanyl)methylideneamino]benzenecarbothioate hydrochloride Openeye Name: S-benzyl 4-guanidinobenzenecarbothioate hydrochloride CAS Name: 4-(diaminomethylideneamino)benzenecarbothioic acid S-(phenylmethyl) ester hydrochloride IUPAC Name: S-benzyl 4-(diaminomethylideneamino)benzenecarbothioate hydrochloride Traditional Name: 4-guanidinothiobenzoic acid S-benzyl ester hydrochloride Formula: C15H16ClN3OS MolecularWeight: 321.82504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3OS.ClH/c16-15(17)18-13-8-6-12(7-9-13)14(19)20-10-11-4-2-1-3-5-11;/h1-9H,10H2,(H4,16,17,18);1H