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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-1-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 3-ethyl-1-[(2-keto-6-methoxy-1H-quinolin-3-yl)methyl]-1-piperonyl-thiourea Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4S/c1-3-23-22(30)25(11-14-4-7-19-20(8-14)29-13-28-19)12-16-9-15-10-17(27-2)5-6-18(15)24-21(16)26/h4-10H,3,11-13H2,1-2H3,(H,23,30)(H,24,26)