3-(4-chloranyl-2-methoxy-phenyl)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-(3-imidazol-1-ylpropyl)thiourea

Systemtic Name: 3-(4-chloranyl-2-methoxy-phenyl)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-(3-imidazol-1-ylpropyl)thiourea Openeye Name: 3-(4-chloro-2-methoxy-phenyl)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-(3-imidazol-1-ylpropyl)thiourea CAS Name: 3-(4-chloro-2-methoxyphenyl)-1-[[(1S)-1-cyclohex-3-enyl]methyl]-1-[3-(1-imidazolyl)propyl]thiourea IUPAC Name: 3-(4-chloro-2-methoxyphenyl)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-(3-imidazol-1-ylpropyl)thiourea Traditional Name: 3-(4-chloro-2-methoxy-phenyl)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-(3-imidazol-1-ylpropyl)thiourea Formula: C21H27ClN4OS MolecularWeight: 418.98328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)Cl)NC(=S)N(CCCN2C=CN=C2)CC3CCC=CC3

Isomeric SMILES

COC1=C(C=CC(=C1)Cl)NC(=S)N(CCCN2C=CN=C2)C[C@H]3CCC=CC3

InChI

InChI=1S/C21H27ClN4OS/c1-27-20-14-18(22)8-9-19(20)24-21(28)26(15-17-6-3-2-4-7-17)12-5-11-25-13-10-23-16-25/h2-3,8-10,13-14,16-17H,4-7,11-12,15H2,1H3,(H,24,28)/t17-/m1/s1