1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-(phenylmethyl)thiourea

Systemtic Name: 1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)thiourea CAS Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)thiourea Traditional Name: 1-benzyl-1-[(2-keto-5,8-dimethyl-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)thiourea Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CC3=CC=CC=C3)C(=S)NC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CC3=CC=CC=C3)C(=S)NC4=CC=C(C=C4)OC

InChI

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