(phenylmethyl) N-[3-(2-sulfanylethyl)-1,3-benzothiazol-2-ylidene]carbamimidothioate

Systemtic Name: (phenylmethyl) N-[3-(2-sulfanylethyl)-1,3-benzothiazol-2-ylidene]carbamimidothioate Openeye Name: 2-benzyl-1-[3-(2-sulfanylethyl)-1,3-benzothiazol-2-ylidene]isothiourea CAS Name: N-[3-(2-mercaptoethyl)-1,3-benzothiazol-2-ylidene]carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-(2-sulfanylethyl)-1,3-benzothiazol-2-ylidene]carbamimidothioate Traditional Name: 2-benzyl-1-[3-(2-mercaptoethyl)-1,3-benzothiazol-2-ylidene]isothiourea Formula: C17H17N3S3 MolecularWeight: 359.53198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=N)N=C2N(C3=CC=CC=C3S2)CCS

Isomeric SMILES

C1=CC=C(C=C1)CSC(=N)N=C2N(C3=CC=CC=C3S2)CCS

InChI

InChI=1S/C17H17N3S3/c18-16(22-12-13-6-2-1-3-7-13)19-17-20(10-11-21)14-8-4-5-9-15(14)23-17/h1-9,18,21H,10-12H2