1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)-1-(phenylmethyl)thiourea

Systemtic Name: 1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)thiourea CAS Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)thiourea Traditional Name: 1-benzyl-1-[(2-keto-5,8-dimethyl-1H-quinolin-3-yl)methyl]-3-p-phenetyl-thiourea Formula: C28H29N3O2S MolecularWeight: 471.61376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CC4=C(C=CC(=C4NC3=O)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CC4=C(C=CC(=C4NC3=O)C)C

InChI

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