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

Systemtic Name: 3-(4-ethoxyphenyl)-1-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(4-ethoxyphenyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 3-(4-ethoxyphenyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(4-ethoxyphenyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 1-benzyl-1-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]-3-p-phenetyl-thiourea Formula: C27H27N3O3S MolecularWeight: 473.58658

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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=C(C=C4)OC)NC3=O

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O3S/c1-3-33-23-13-10-22(11-14-23)28-27(34)30(17-19-7-5-4-6-8-19)18-21-15-20-9-12-24(32-2)16-25(20)29-26(21)31/h4-16H,3,17-18H2,1-2H3,(H,28,34)(H,29,31)