1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-isobutyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea Traditional Name: 3-isobutyl-1-[(2-keto-6-methoxy-1H-quinolin-3-yl)methyl]-1-piperonyl-thiourea Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=S)N(CC1=CC2=C(C=C1)OCO2)CC3=CC4=C(C=CC(=C4)OC)NC3=O

Isomeric SMILES

CC(C)CNC(=S)N(CC1=CC2=C(C=C1)OCO2)CC3=CC4=C(C=CC(=C4)OC)NC3=O

InChI

InChI=1S/C24H27N3O4S/c1-15(2)11-25-24(32)27(12-16-4-7-21-22(8-16)31-14-30-21)13-18-9-17-10-19(29-3)5-6-20(17)26-23(18)28/h4-10,15H,11-14H2,1-3H3,(H,25,32)(H,26,28)