1-(2-cyanoethyl)-3-(2,6-dimethylphenyl)-1-(3,3,5-trimethylcyclohexyl)thiourea

Systemtic Name: 1-(2-cyanoethyl)-3-(2,6-dimethylphenyl)-1-(3,3,5-trimethylcyclohexyl)thiourea Openeye Name: 1-(2-cyanoethyl)-3-(2,6-dimethylphenyl)-1-(3,3,5-trimethylcyclohexyl)thiourea CAS Name: 1-(2-cyanoethyl)-3-(2,6-dimethylphenyl)-1-(3,3,5-trimethylcyclohexyl)thiourea IUPAC Name: 1-(2-cyanoethyl)-3-(2,6-dimethylphenyl)-1-(3,3,5-trimethylcyclohexyl)thiourea Traditional Name: 1-(2-cyanoethyl)-3-(2,6-dimethylphenyl)-1-(3,3,5-trimethylcyclohexyl)thiourea Formula: C21H31N3S MolecularWeight: 357.55594

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)N(CCC#N)C(=S)NC2=C(C=CC=C2C)C

Isomeric SMILES

CC1CC(CC(C1)(C)C)N(CCC#N)C(=S)NC2=C(C=CC=C2C)C

InChI

InChI=1S/C21H31N3S/c1-15-12-18(14-21(4,5)13-15)24(11-7-10-22)20(25)23-19-16(2)8-6-9-17(19)3/h6,8-9,15,18H,7,11-14H2,1-5H3,(H,23,25)