1-(1,3-benzodioxol-5-ylmethyl)-1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-methylphenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-methylphenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(p-tolyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methylphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methylphenyl)thiourea Traditional Name: 1-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]-1-piperonyl-3-(p-tolyl)thiourea Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C(=C(C=C5)C)C)NC4=O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C(=C(C=C5)C)C)NC4=O

InChI

InChI=1S/C28H27N3O3S/c1-17-4-9-23(10-5-17)29-28(35)31(14-20-7-11-24-25(12-20)34-16-33-24)15-22-13-21-8-6-18(2)19(3)26(21)30-27(22)32/h4-13H,14-16H2,1-3H3,(H,29,35)(H,30,32)