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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenyl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylthiourea Traditional Name: 1-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]-3-phenyl-1-piperonyl-thiourea Formula: C26H23N3O4S MolecularWeight: 473.54352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC5=CC=CC=C5

InChI

InChI=1S/C26H23N3O4S/c1-31-21-9-8-18-12-19(25(30)28-22(18)13-21)15-29(26(34)27-20-5-3-2-4-6-20)14-17-7-10-23-24(11-17)33-16-32-23/h2-13H,14-16H2,1H3,(H,27,34)(H,28,30)