(4-nitrophenyl)methyl N'-(4-chlorophenyl)carbamimidothioate

Systemtic Name: (4-nitrophenyl)methyl N'-(4-chlorophenyl)carbamimidothioate Openeye Name: 3-(4-chlorophenyl)-2-[(4-nitrophenyl)methyl]isothiourea CAS Name: N'-(4-chlorophenyl)carbamimidothioic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N'-(4-chlorophenyl)carbamimidothioate Traditional Name: 3-(4-chlorophenyl)-2-(4-nitrobenzyl)isothiourea Formula: C14H12ClN3O2S MolecularWeight: 321.78198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC(=NC2=CC=C(C=C2)Cl)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC(=NC2=CC=C(C=C2)Cl)N)[N+](=O)[O-]

InChI

InChI=1S/C14H12ClN3O2S/c15-11-3-5-12(6-4-11)17-14(16)21-9-10-1-7-13(8-2-10)18(19)20/h1-8H,9H2,(H2,16,17)