methyl N-(4-cyanophenyl)-N-methyl-N'-propan-2-yl-carbamimidothioate

Systemtic Name: methyl N-(4-cyanophenyl)-N-methyl-N'-propan-2-yl-carbamimidothioate Openeye Name: 1-(4-cyanophenyl)-3-isopropyl-1,2-dimethyl-isothiourea CAS Name: N-(4-cyanophenyl)-N-methyl-N'-propan-2-ylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-cyanophenyl)-N-methyl-N'-propan-2-ylcarbamimidothioate Traditional Name: 1-(4-cyanophenyl)-3-isopropyl-1,2-dimethyl-isothiourea Formula: C13H17N3S MolecularWeight: 247.35918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C(N(C)C1=CC=C(C=C1)C#N)SC

Isomeric SMILES

CC(C)N=C(N(C)C1=CC=C(C=C1)C#N)SC

InChI

InChI=1S/C13H17N3S/c1-10(2)15-13(17-4)16(3)12-7-5-11(9-14)6-8-12/h5-8,10H,1-4H3