1-(1,3-benzodioxol-5-ylmethyl)-1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-isobutyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea Traditional Name: 3-isobutyl-1-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]-1-piperonyl-thiourea Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NCC(C)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NCC(C)C)C

InChI

InChI=1S/C25H29N3O3S/c1-15(2)11-26-25(32)28(12-18-6-8-21-22(9-18)31-14-30-21)13-20-10-19-7-5-16(3)17(4)23(19)27-24(20)29/h5-10,15H,11-14H2,1-4H3,(H,26,32)(H,27,29)