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

Systemtic Name: 3-(2-chloranyl-3-methyl-phenyl)-1-(cyclohex-3-en-1-ylmethyl)-1-(3-imidazol-1-ylpropyl)thiourea Openeye Name: 3-(2-chloro-3-methyl-phenyl)-1-(cyclohex-3-en-1-ylmethyl)-1-(3-imidazol-1-ylpropyl)thiourea CAS Name: 3-(2-chloro-3-methylphenyl)-1-(1-cyclohex-3-enylmethyl)-1-[3-(1-imidazolyl)propyl]thiourea IUPAC Name: 3-(2-chloro-3-methylphenyl)-1-(cyclohex-3-en-1-ylmethyl)-1-(3-imidazol-1-ylpropyl)thiourea Traditional Name: 3-(2-chloro-3-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=C(C(=CC=C1)NC(=S)N(CCCN2C=CN=C2)CC3CCC=CC3)Cl

Isomeric SMILES

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

InChI

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