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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)thiourea Traditional Name: 1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-1-piperonyl-3-p-phenetyl-thiourea Formula: C29H29N3O5S MolecularWeight: 531.62266

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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=C(C=CC(=C5)OCC)NC4=O

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=CC(=C5)OCC)NC4=O

InChI

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