1-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(phenylmethyl)thiourea

Systemtic Name: 1-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)thiourea CAS Name: 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)thiourea Traditional Name: 1-benzyl-1-[(2-keto-6,8-dimethyl-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)thiourea Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=CC=C3)C(=S)NC4=CC=CC=C4OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=CC=C3)C(=S)NC4=CC=CC=C4OC)C

InChI

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