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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 3-ethyl-1-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]-1-piperonyl-thiourea Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NCC

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NCC

InChI

InChI=1S/C23H25N3O3S/c1-3-15-5-7-19-17(9-15)11-18(22(27)25-19)13-26(23(30)24-4-2)12-16-6-8-20-21(10-16)29-14-28-20/h5-11H,3-4,12-14H2,1-2H3,(H,24,30)(H,25,27)