methyl N-(4-cyanophenyl)-N'-(2,3-dihydro-1H-inden-1-yl)carbamimidothioate

Systemtic Name: methyl N-(4-cyanophenyl)-N'-(2,3-dihydro-1H-inden-1-yl)carbamimidothioate Openeye Name: 1-(4-cyanophenyl)-3-indan-1-yl-2-methyl-isothiourea CAS Name: N-(4-cyanophenyl)-N'-(2,3-dihydro-1H-inden-1-yl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-cyanophenyl)-N'-(2,3-dihydro-1H-inden-1-yl)carbamimidothioate Traditional Name: 1-(4-cyanophenyl)-3-indan-1-yl-2-methyl-isothiourea Formula: C18H17N3S MolecularWeight: 307.41268

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1CCC2=CC=CC=C12)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CSC(=NC1CCC2=CC=CC=C12)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H17N3S/c1-22-18(20-15-9-6-13(12-19)7-10-15)21-17-11-8-14-4-2-3-5-16(14)17/h2-7,9-10,17H,8,11H2,1H3,(H,20,21)