1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)-1-(phenylmethyl)thiourea

Systemtic Name: 1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)thiourea CAS Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)thiourea Traditional Name: 1-benzyl-1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-3-p-phenetyl-thiourea Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O4S/c1-4-35-23-12-10-22(11-13-23)29-28(36)31(17-19-8-6-5-7-9-19)18-21-14-20-15-25(33-2)26(34-3)16-24(20)30-27(21)32/h5-16H,4,17-18H2,1-3H3,(H,29,36)(H,30,32)