(phenylmethyl) N'-(1,3-benzothiazol-2-yl)carbamimidothioate

Systemtic Name: (phenylmethyl) N'-(1,3-benzothiazol-2-yl)carbamimidothioate Openeye Name: 3-(1,3-benzothiazol-2-yl)-2-benzyl-isothiourea CAS Name: N'-(1,3-benzothiazol-2-yl)carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N'-(1,3-benzothiazol-2-yl)carbamimidothioate Traditional Name: 3-(1,3-benzothiazol-2-yl)-2-benzyl-isothiourea Formula: C15H13N3S2 MolecularWeight: 299.41382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=NC2=NC3=CC=CC=C3S2)N

Isomeric SMILES

C1=CC=C(C=C1)CS/C(=N/C2=NC3=CC=CC=C3S2)/N

InChI

InChI=1S/C15H13N3S2/c16-14(19-10-11-6-2-1-3-7-11)18-15-17-12-8-4-5-9-13(12)20-15/h1-9H,10H2,(H2,16,17,18)