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

Systemtic Name: S-methyl N-[N-(4-methylphenyl)carbonyl-N'-propyl-carbamimidoyl]carbamothioate Openeye Name: S-methyl N-[N-(4-methylbenzoyl)-N'-propyl-carbamimidoyl]carbamothioate CAS Name: N-[[[(4-methylphenyl)-oxomethyl]amino]-propyliminomethyl]carbamothioic acid S-methyl ester IUPAC Name: S-methyl N-[N-(4-methylbenzoyl)-N'-propylcarbamimidoyl]carbamothioate Traditional Name: N-(N'-propyl-N-p-toluoyl-amidino)thiocarbamic acid S-methyl ester Formula: C14H19N3O2S MolecularWeight: 293.38456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O2S/c1-4-9-15-13(17-14(19)20-3)16-12(18)11-7-5-10(2)6-8-11/h5-8H,4,9H2,1-3H3,(H2,15,16,17,18,19)