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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-1-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 3-ethyl-1-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]-1-piperonyl-thiourea Formula: C22H23N3O3S MolecularWeight: 409.50132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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