1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)thiourea Traditional Name: 1-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]-1-piperonyl-3-p-phenetyl-thiourea Formula: C29H29N3O4S MolecularWeight: 515.62326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC5=CC(=C(C=C5NC4=O)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC5=CC(=C(C=C5NC4=O)C)C

InChI

InChI=1S/C29H29N3O4S/c1-4-34-24-8-6-23(7-9-24)30-29(37)32(15-20-5-10-26-27(13-20)36-17-35-26)16-22-14-21-11-18(2)19(3)12-25(21)31-28(22)33/h5-14H,4,15-17H2,1-3H3,(H,30,37)(H,31,33)