1-(1,3-benzodioxol-5-ylmethyl)-1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(3-ethoxypropyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(3-ethoxypropyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-ethoxypropyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-ethoxypropyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-ethoxypropyl)thiourea Traditional Name: 3-(3-ethoxypropyl)-1-[(2-keto-5,8-dimethyl-1H-quinolin-3-yl)methyl]-1-piperonyl-thiourea Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O4S/c1-4-31-11-5-10-27-26(34)29(14-19-8-9-22-23(12-19)33-16-32-22)15-20-13-21-17(2)6-7-18(3)24(21)28-25(20)30/h6-9,12-13H,4-5,10-11,14-16H2,1-3H3,(H,27,34)(H,28,30)