3-(2-chloranyl-5-methyl-phenyl)-1-(cyclohex-3-en-1-ylmethyl)-1-(3-imidazol-1-ylpropyl)thiourea

Systemtic Name: 3-(2-chloranyl-5-methyl-phenyl)-1-(cyclohex-3-en-1-ylmethyl)-1-(3-imidazol-1-ylpropyl)thiourea Openeye Name: 3-(2-chloro-5-methyl-phenyl)-1-(cyclohex-3-en-1-ylmethyl)-1-(3-imidazol-1-ylpropyl)thiourea CAS Name: 3-(2-chloro-5-methylphenyl)-1-(1-cyclohex-3-enylmethyl)-1-[3-(1-imidazolyl)propyl]thiourea IUPAC Name: 3-(2-chloro-5-methylphenyl)-1-(cyclohex-3-en-1-ylmethyl)-1-(3-imidazol-1-ylpropyl)thiourea Traditional Name: 3-(2-chloro-5-methyl-phenyl)-1-(cyclohex-3-en-1-ylmethyl)-1-(3-imidazol-1-ylpropyl)thiourea Formula: C21H27ClN4S MolecularWeight: 402.98388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)NC(=S)N(CCCN2C=CN=C2)CC3CCC=CC3

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)NC(=S)N(CCCN2C=CN=C2)CC3CCC=CC3

InChI

InChI=1S/C21H27ClN4S/c1-17-8-9-19(22)20(14-17)24-21(27)26(15-18-6-3-2-4-7-18)12-5-11-25-13-10-23-16-25/h2-3,8-10,13-14,16,18H,4-7,11-12,15H2,1H3,(H,24,27)