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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-ethylphenyl)-1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-ethylphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-ethylphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-ethylphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 3-(4-ethylphenyl)-1-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]-1-piperonyl-thiourea Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=CC(=C5)C)NC4=O

Isomeric SMILES

CCC1=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/C28H27N3O3S/c1-3-19-5-8-23(9-6-19)29-28(35)31(15-20-7-11-25-26(13-20)34-17-33-25)16-22-14-21-12-18(2)4-10-24(21)30-27(22)32/h4-14H,3,15-17H2,1-2H3,(H,29,35)(H,30,32)