1-[4-[2-(aminomethyl)-1,3-thiazol-5-yl]cyclohex-3-en-1-yl]-3-[4-fluoranyl-3-(trifluoromethyl)phenyl]-1-(2-pyrrolidin-1-ylethyl)urea

Systemtic Name: 1-[4-[2-(aminomethyl)-1,3-thiazol-5-yl]cyclohex-3-en-1-yl]-3-[4-fluoranyl-3-(trifluoromethyl)phenyl]-1-(2-pyrrolidin-1-ylethyl)urea Openeye Name: 1-[4-[2-(aminomethyl)thiazol-5-yl]cyclohex-3-en-1-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(2-pyrrolidin-1-ylethyl)urea CAS Name: 1-[4-[2-(aminomethyl)-5-thiazolyl]-1-cyclohex-3-enyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-(1-pyrrolidinyl)ethyl]urea IUPAC Name: 1-[4-[2-(aminomethyl)-1,3-thiazol-5-yl]cyclohex-3-en-1-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(2-pyrrolidin-1-ylethyl)urea Traditional Name: 1-[4-[2-(aminomethyl)thiazol-5-yl]cyclohex-3-en-1-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(2-pyrrolidinoethyl)urea Formula: C24H29F4N5OS MolecularWeight: 511.578573

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN(C2CCC(=CC2)C3=CN=C(S3)CN)C(=O)NC4=CC(=C(C=C4)F)C(F)(F)F

Isomeric SMILES

C1CCN(C1)CCN(C2CCC(=CC2)C3=CN=C(S3)CN)C(=O)NC4=CC(=C(C=C4)F)C(F)(F)F

InChI

InChI=1S/C24H29F4N5OS/c25-20-8-5-17(13-19(20)24(26,27)28)31-23(34)33(12-11-32-9-1-2-10-32)18-6-3-16(4-7-18)21-15-30-22(14-29)35-21/h3,5,8,13,15,18H,1-2,4,6-7,9-12,14,29H2,(H,31,34)