1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2,3-dimethylphenyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2,3-dimethylphenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2,3-dimethylphenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2,3-dimethylphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2,3-dimethylphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(2,3-dimethylphenyl)-1-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]-1-(3-pyridylmethyl)thiourea Formula: C27H28N4OS MolecularWeight: 456.60242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)N(CC2=CN=CC=C2)CC3=CC4=CC(=C(C=C4NC3=O)C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)N(CC2=CN=CC=C2)CC3=CC4=CC(=C(C=C4NC3=O)C)C)C

InChI

InChI=1S/C27H28N4OS/c1-17-7-5-9-24(20(17)4)30-27(33)31(15-21-8-6-10-28-14-21)16-23-13-22-11-18(2)19(3)12-25(22)29-26(23)32/h5-14H,15-16H2,1-4H3,(H,29,32)(H,30,33)