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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-methyl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methylthiourea Traditional Name: 1-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]-3-methyl-1-piperonyl-thiourea Formula: C22H23N3O3S MolecularWeight: 409.50132

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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)NC

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c1-3-14-4-6-18-16(8-14)10-17(21(26)24-18)12-25(22(29)23-2)11-15-5-7-19-20(9-15)28-13-27-19/h4-10H,3,11-13H2,1-2H3,(H,23,29)(H,24,26)