1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(3-pyridylmethyl)thiourea Formula: C27H28N4O2S MolecularWeight: 472.60182

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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(=C4)OCC)NC3=O

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N(CC2=CN=CC=C2)CC3=CC4=C(C=CC(=C4)OCC)NC3=O

InChI

InChI=1S/C27H28N4O2S/c1-3-20-9-5-6-10-24(20)30-27(34)31(17-19-8-7-13-28-16-19)18-22-14-21-15-23(33-4-2)11-12-25(21)29-26(22)32/h5-16H,3-4,17-18H2,1-2H3,(H,29,32)(H,30,34)