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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(3-ethoxypropyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-ethoxypropyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-ethoxypropyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-ethoxypropyl)thiourea Traditional Name: 3-(3-ethoxypropyl)-1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-1-piperonyl-thiourea Formula: C26H31N3O6S MolecularWeight: 513.60584

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=S)N(CC1=CC2=C(C=C1)OCO2)CC3=CC4=CC(=C(C=C4NC3=O)OC)OC

Isomeric SMILES

CCOCCCNC(=S)N(CC1=CC2=C(C=C1)OCO2)CC3=CC4=CC(=C(C=C4NC3=O)OC)OC

InChI

InChI=1S/C26H31N3O6S/c1-4-33-9-5-8-27-26(36)29(14-17-6-7-21-24(10-17)35-16-34-21)15-19-11-18-12-22(31-2)23(32-3)13-20(18)28-25(19)30/h6-7,10-13H,4-5,8-9,14-16H2,1-3H3,(H,27,36)(H,28,30)