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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-butyl-1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-butyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-butyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-butyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 3-butyl-1-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]-1-piperonyl-thiourea Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3S/c1-4-5-8-26-25(32)28(13-18-6-7-22-23(11-18)31-15-30-22)14-20-12-19-9-16(2)17(3)10-21(19)27-24(20)29/h6-7,9-12H,4-5,8,13-15H2,1-3H3,(H,26,32)(H,27,29)