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

Systemtic Name: 1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)thiourea CAS Name: 1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)thiourea Traditional Name: 1-benzyl-1-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)thiourea Formula: C27H27N3O2S MolecularWeight: 457.58718

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O2S/c1-3-19-9-14-25-21(15-19)16-22(26(31)29-25)18-30(17-20-7-5-4-6-8-20)27(33)28-23-10-12-24(32-2)13-11-23/h4-16H,3,17-18H2,1-2H3,(H,28,33)(H,29,31)