1-cyclopentyl-1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea

Systemtic Name: 1-cyclopentyl-1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea Openeye Name: 1-cyclopentyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-isobutyl-thiourea CAS Name: 1-cyclopentyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea IUPAC Name: 1-cyclopentyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea Traditional Name: 1-cyclopentyl-1-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]-3-isobutyl-thiourea Formula: C22H31N3OS MolecularWeight: 385.56604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCC3)C(=S)NCC(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCC3)C(=S)NCC(C)C

InChI

InChI=1S/C22H31N3OS/c1-4-16-9-10-20-17(11-16)12-18(21(26)24-20)14-25(19-7-5-6-8-19)22(27)23-13-15(2)3/h9-12,15,19H,4-8,13-14H2,1-3H3,(H,23,27)(H,24,26)