3-(4-ethoxyphenyl)-1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(phenylmethyl)thiourea

Systemtic Name: 3-(4-ethoxyphenyl)-1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(4-ethoxyphenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 3-(4-ethoxyphenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(4-ethoxyphenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 1-benzyl-1-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]-3-p-phenetyl-thiourea Formula: C28H29N3O2S MolecularWeight: 471.61376

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CC=C3)C(=S)NC4=CC=C(C=C4)OCC

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CC=C3)C(=S)NC4=CC=C(C=C4)OCC

InChI

InChI=1S/C28H29N3O2S/c1-3-20-10-15-26-22(16-20)17-23(27(32)30-26)19-31(18-21-8-6-5-7-9-21)28(34)29-24-11-13-25(14-12-24)33-4-2/h5-17H,3-4,18-19H2,1-2H3,(H,29,34)(H,30,32)