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

Systemtic Name: 1-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenethyl-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-[(2-keto-6,8-dimethyl-1H-quinolin-3-yl)methyl]-3-phenethyl-1-(3-pyridylmethyl)thiourea Formula: C27H28N4OS MolecularWeight: 456.60242

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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)NCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CC3=CN=CC=C3)C(=S)NCCC4=CC=CC=C4)C

InChI

InChI=1S/C27H28N4OS/c1-19-13-20(2)25-23(14-19)15-24(26(32)30-25)18-31(17-22-9-6-11-28-16-22)27(33)29-12-10-21-7-4-3-5-8-21/h3-9,11,13-16H,10,12,17-18H2,1-2H3,(H,29,33)(H,30,32)