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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-methyl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methylthiourea Traditional Name: 1-[(2-keto-6-methoxy-1H-quinolin-3-yl)methyl]-3-methyl-1-piperonyl-thiourea Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-22-21(29)24(10-13-3-6-18-19(7-13)28-12-27-18)11-15-8-14-9-16(26-2)4-5-17(14)23-20(15)25/h3-9H,10-12H2,1-2H3,(H,22,29)(H,23,25)