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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(3-methoxypropyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methoxypropyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methoxypropyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methoxypropyl)thiourea Traditional Name: 1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-3-(3-methoxypropyl)-1-piperonyl-thiourea Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O6S/c1-30-8-4-7-26-25(35)28(13-16-5-6-20-23(9-16)34-15-33-20)14-18-10-17-11-21(31-2)22(32-3)12-19(17)27-24(18)29/h5-6,9-12H,4,7-8,13-15H2,1-3H3,(H,26,35)(H,27,29)