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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dimethylphenyl)-1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dimethylphenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dimethylphenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dimethylphenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 3-(2,4-dimethylphenyl)-1-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]-1-piperonyl-thiourea Formula: C29H29N3O3S MolecularWeight: 499.62386

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC5=C(C=C(C=C5)C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC5=C(C=C(C=C5)C)C

InChI

InChI=1S/C29H29N3O3S/c1-4-20-6-9-25-22(12-20)14-23(28(33)30-25)16-32(15-21-7-10-26-27(13-21)35-17-34-26)29(36)31-24-8-5-18(2)11-19(24)3/h5-14H,4,15-17H2,1-3H3,(H,30,33)(H,31,36)