1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(2-ethylphenyl)-1-[(2-keto-5,8-dimethyl-1H-quinolin-3-yl)methyl]-1-(3-pyridylmethyl)thiourea Formula: C27H28N4OS MolecularWeight: 456.60242

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N(CC2=CN=CC=C2)CC3=CC4=C(C=CC(=C4NC3=O)C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N(CC2=CN=CC=C2)CC3=CC4=C(C=CC(=C4NC3=O)C)C

InChI

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