1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenethyl-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenethyl-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-[(2-keto-5,7-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=C(C(=O)NC2=C1)CN(CC3=CN=CC=C3)C(=S)NCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CC3=CN=CC=C3)C(=S)NCCC4=CC=CC=C4)C

InChI

InChI=1S/C27H28N4OS/c1-19-13-20(2)24-15-23(26(32)30-25(24)14-19)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)