3-(4-ethoxyphenyl)-1-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-phenethyl-thiourea

Systemtic Name: 3-(4-ethoxyphenyl)-1-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-phenethyl-thiourea Openeye Name: 3-(4-ethoxyphenyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-phenethyl-thiourea CAS Name: 3-(4-ethoxyphenyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-phenethylthiourea IUPAC Name: 3-(4-ethoxyphenyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-phenethylthiourea Traditional Name: 1-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]-1-phenethyl-3-p-phenetyl-thiourea Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N(CCC2=CC=CC=C2)CC3=CC4=C(C=C(C=C4)OC)NC3=O

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N(CCC2=CC=CC=C2)CC3=CC4=C(C=C(C=C4)OC)NC3=O

InChI

InChI=1S/C28H29N3O3S/c1-3-34-24-13-10-23(11-14-24)29-28(35)31(16-15-20-7-5-4-6-8-20)19-22-17-21-9-12-25(33-2)18-26(21)30-27(22)32/h4-14,17-18H,3,15-16,19H2,1-2H3,(H,29,35)(H,30,32)