(phenylmethyl) N'-[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenyl-carbonimidoyl]carbamimidothioate

Systemtic Name: (phenylmethyl) N'-[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenyl-carbonimidoyl]carbamimidothioate Openeye Name: 2-benzyl-3-[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenyl-carbonimidoyl]isothiourea CAS Name: N'-[(Z)-(4-chlorophenyl)sulfonylimino-phenylmethyl]carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N'-[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]carbamimidothioate Traditional Name: 2-benzyl-3-[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenyl-carbonimidoyl]isothiourea Formula: C21H18ClN3O2S2 MolecularWeight: 443.96952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=NC(=NS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)CSC(=N/C(=N\S(=O)(=O)C2=CC=C(C=C2)Cl)/C3=CC=CC=C3)N

InChI

InChI=1S/C21H18ClN3O2S2/c22-18-11-13-19(14-12-18)29(26,27)25-20(17-9-5-2-6-10-17)24-21(23)28-15-16-7-3-1-4-8-16/h1-14H,15H2,(H2,23,24,25)