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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)thiourea Traditional Name: 3-(2-ethylphenyl)-1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-1-piperonyl-thiourea Formula: C29H29N3O5S MolecularWeight: 531.62266

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC5=CC(=C(C=C5NC4=O)OC)OC

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC5=CC(=C(C=C5NC4=O)OC)OC

InChI

InChI=1S/C29H29N3O5S/c1-4-19-7-5-6-8-22(19)31-29(38)32(15-18-9-10-24-27(11-18)37-17-36-24)16-21-12-20-13-25(34-2)26(35-3)14-23(20)30-28(21)33/h5-14H,4,15-17H2,1-3H3,(H,30,33)(H,31,38)