1-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-[(2-keto-6,8-dimethyl-1H-quinolin-3-yl)methyl]-3-phenyl-1-(3-pyridylmethyl)thiourea Formula: C25H24N4OS MolecularWeight: 428.54926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CC3=CN=CC=C3)C(=S)NC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CC3=CN=CC=C3)C(=S)NC4=CC=CC=C4)C

InChI

InChI=1S/C25H24N4OS/c1-17-11-18(2)23-20(12-17)13-21(24(30)28-23)16-29(15-19-7-6-10-26-14-19)25(31)27-22-8-4-3-5-9-22/h3-14H,15-16H2,1-2H3,(H,27,31)(H,28,30)