1-[(1-butyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(4-chloranyl-2-methoxy-phenyl)-1-cyclopentyl-thiourea

Systemtic Name: 1-[(1-butyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(4-chloranyl-2-methoxy-phenyl)-1-cyclopentyl-thiourea Openeye Name: 1-[(1-butyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(4-chloro-2-methoxy-phenyl)-1-cyclopentyl-thiourea CAS Name: 1-[(1-butyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(4-chloro-2-methoxyphenyl)-1-cyclopentylthiourea IUPAC Name: 1-[(1-butyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(4-chloro-2-methoxyphenyl)-1-cyclopentylthiourea Traditional Name: 1-[(1-butyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(4-chloro-2-methoxy-phenyl)-1-cyclopentyl-thiourea Formula: C27H36ClN3OS MolecularWeight: 486.11224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCCC2=C1C=CC(=C2)CN(C3CCCC3)C(=S)NC4=C(C=C(C=C4)Cl)OC

Isomeric SMILES

CCCCN1CCCC2=C1C=CC(=C2)CN(C3CCCC3)C(=S)NC4=C(C=C(C=C4)Cl)OC

InChI

InChI=1S/C27H36ClN3OS/c1-3-4-15-30-16-7-8-21-17-20(11-14-25(21)30)19-31(23-9-5-6-10-23)27(33)29-24-13-12-22(28)18-26(24)32-2/h11-14,17-18,23H,3-10,15-16,19H2,1-2H3,(H,29,33)