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

Systemtic Name: 1-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-isobutyl-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-isobutyl-1-[(2-keto-6,8-dimethyl-1H-quinolin-3-yl)methyl]-1-(3-pyridylmethyl)thiourea Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4OS/c1-15(2)11-25-23(29)27(13-18-6-5-7-24-12-18)14-20-10-19-9-16(3)8-17(4)21(19)26-22(20)28/h5-10,12,15H,11,13-14H2,1-4H3,(H,25,29)(H,26,28)