N-(3-cyanophenyl)-2-(cyclohexen-1-ylamino)-4,5-diethyl-4,5-dihydroimidazole-1-carbothioamide

Systemtic Name: N-(3-cyanophenyl)-2-(cyclohexen-1-ylamino)-4,5-diethyl-4,5-dihydroimidazole-1-carbothioamide Openeye Name: N-(3-cyanophenyl)-2-(cyclohexen-1-ylamino)-4,5-diethyl-4,5-dihydroimidazole-1-carbothioamide CAS Name: N-(3-cyanophenyl)-2-(1-cyclohexenylamino)-4,5-diethyl-4,5-dihydroimidazole-1-carbothioamide IUPAC Name: N-(3-cyanophenyl)-2-(cyclohexen-1-ylamino)-4,5-diethyl-4,5-dihydroimidazole-1-carbothioamide Traditional Name: N-(3-cyanophenyl)-2-(cyclohexen-1-ylamino)-4,5-diethyl-2-imidazoline-1-carbothioamide Formula: C21H27N5S MolecularWeight: 381.53758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(N(C(=N1)NC2=CCCCC2)C(=S)NC3=CC=CC(=C3)C#N)CC

Isomeric SMILES

CCC1C(N(C(=N1)NC2=CCCCC2)C(=S)NC3=CC=CC(=C3)C#N)CC

InChI

InChI=1S/C21H27N5S/c1-3-18-19(4-2)26(20(25-18)23-16-10-6-5-7-11-16)21(27)24-17-12-8-9-15(13-17)14-22/h8-10,12-13,18-19H,3-7,11H2,1-2H3,(H,23,25)(H,24,27)