S-methyl N-[N-(4-chlorophenyl)carbonyl-N'-propyl-carbamimidoyl]carbamothioate

Systemtic Name: S-methyl N-[N-(4-chlorophenyl)carbonyl-N'-propyl-carbamimidoyl]carbamothioate Openeye Name: S-methyl N-[N-(4-chlorobenzoyl)-N'-propyl-carbamimidoyl]carbamothioate CAS Name: N-[[[(4-chlorophenyl)-oxomethyl]amino]-propyliminomethyl]carbamothioic acid S-methyl ester IUPAC Name: S-methyl N-[N-(4-chlorobenzoyl)-N'-propylcarbamimidoyl]carbamothioate Traditional Name: N-[N-(4-chlorobenzoyl)-N'-propyl-amidino]thiocarbamic acid S-methyl ester Formula: C13H16ClN3O2S MolecularWeight: 313.80304

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Descriptors Computed from Structure

Canonical SMILES:

CCCN=C(NC(=O)C1=CC=C(C=C1)Cl)NC(=O)SC

Isomeric SMILES

CCCN=C(NC(=O)C1=CC=C(C=C1)Cl)NC(=O)SC

InChI

InChI=1S/C13H16ClN3O2S/c1-3-8-15-12(17-13(19)20-2)16-11(18)9-4-6-10(14)7-5-9/h4-7H,3,8H2,1-2H3,(H2,15,16,17,18,19)