N-(3-cyanophenyl)-4-phenyl-2-[(5-propylcyclododecyl)amino]-4,5-dihydroimidazole-1-carbothioamide

Systemtic Name: N-(3-cyanophenyl)-4-phenyl-2-[(5-propylcyclododecyl)amino]-4,5-dihydroimidazole-1-carbothioamide Openeye Name: N-(3-cyanophenyl)-4-phenyl-2-[(5-propylcyclododecyl)amino]-4,5-dihydroimidazole-1-carbothioamide CAS Name: N-(3-cyanophenyl)-4-phenyl-2-[(5-propylcyclododecyl)amino]-4,5-dihydroimidazole-1-carbothioamide IUPAC Name: N-(3-cyanophenyl)-4-phenyl-2-[(5-propylcyclododecyl)amino]-4,5-dihydroimidazole-1-carbothioamide Traditional Name: N-(3-cyanophenyl)-4-phenyl-2-[(5-propylcyclododecyl)amino]-2-imidazoline-1-carbothioamide Formula: C32H43N5S MolecularWeight: 529.78232

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCCCCCCC(CCC1)NC2=NC(CN2C(=S)NC3=CC=CC(=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

CCCC1CCCCCCCC(CCC1)NC2=NC(CN2C(=S)NC3=CC=CC(=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C32H43N5S/c1-2-13-25-14-7-4-3-5-10-19-28(20-11-15-25)34-31-36-30(27-17-8-6-9-18-27)24-37(31)32(38)35-29-21-12-16-26(22-29)23-33/h6,8-9,12,16-18,21-22,25,28,30H,2-5,7,10-11,13-15,19-20,24H2,1H3,(H,34,36)(H,35,38)