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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(3-methylphenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(m-tolyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methylphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methylphenyl)thiourea Traditional Name: 1-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]-3-(m-tolyl)-1-piperonyl-thiourea Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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