1-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-isobutyl-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-isobutyl-1-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]-1-(3-pyridylmethyl)thiourea Formula: C22H26N4OS MolecularWeight: 394.53304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CN=CC=C3)C(=S)NCC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CN=CC=C3)C(=S)NCC(C)C

InChI

InChI=1S/C22H26N4OS/c1-15(2)11-24-22(28)26(13-17-5-4-8-23-12-17)14-19-10-18-7-6-16(3)9-20(18)25-21(19)27/h4-10,12,15H,11,13-14H2,1-3H3,(H,24,28)(H,25,27)