3-(3-chloranyl-2-methyl-phenyl)-1-cyclohexyl-1-(1-pyridin-3-ylethyl)thiourea

Systemtic Name: 3-(3-chloranyl-2-methyl-phenyl)-1-cyclohexyl-1-(1-pyridin-3-ylethyl)thiourea Openeye Name: 3-(3-chloro-2-methyl-phenyl)-1-cyclohexyl-1-[1-(3-pyridyl)ethyl]thiourea CAS Name: 3-(3-chloro-2-methylphenyl)-1-cyclohexyl-1-[1-(3-pyridinyl)ethyl]thiourea IUPAC Name: 3-(3-chloro-2-methylphenyl)-1-cyclohexyl-1-(1-pyridin-3-ylethyl)thiourea Traditional Name: 3-(3-chloro-2-methyl-phenyl)-1-cyclohexyl-1-[1-(3-pyridyl)ethyl]thiourea Formula: C21H26ClN3S MolecularWeight: 387.96924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N(C2CCCCC2)C(C)C3=CN=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N(C2CCCCC2)C(C)C3=CN=CC=C3

InChI

InChI=1S/C21H26ClN3S/c1-15-19(22)11-6-12-20(15)24-21(26)25(18-9-4-3-5-10-18)16(2)17-8-7-13-23-14-17/h6-8,11-14,16,18H,3-5,9-10H2,1-2H3,(H,24,26)