1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-methylphenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-methylphenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(p-tolyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methylphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methylphenyl)thiourea Traditional Name: 1-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]-1-piperonyl-3-(p-tolyl)thiourea Formula: C27H25N3O3S MolecularWeight: 471.5707

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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=CC(=C5)C)NC4=O

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O3S/c1-17-3-7-22(8-4-17)28-27(34)30(14-19-6-10-24-25(12-19)33-16-32-24)15-21-13-20-11-18(2)5-9-23(20)29-26(21)31/h3-13H,14-16H2,1-2H3,(H,28,34)(H,29,31)