1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-3-p-phenetyl-1-(3-pyridylmethyl)thiourea Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N(CC2=CN=CC=C2)CC3=CC4=C(C=CC(=C4)OCC)NC3=O

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N(CC2=CN=CC=C2)CC3=CC4=C(C=CC(=C4)OCC)NC3=O

InChI

InChI=1S/C27H28N4O3S/c1-3-33-23-9-7-22(8-10-23)29-27(35)31(17-19-6-5-13-28-16-19)18-21-14-20-15-24(34-4-2)11-12-25(20)30-26(21)32/h5-16H,3-4,17-18H2,1-2H3,(H,29,35)(H,30,32)