1-(1,3-benzodioxol-5-ylmethyl)-1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenyl-thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenyl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylthiourea Traditional Name: 1-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]-3-phenyl-1-piperonyl-thiourea Formula: C27H25N3O3S MolecularWeight: 471.5707

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC5=CC=CC=C5)C

InChI

InChI=1S/C27H25N3O3S/c1-17-8-10-20-13-21(26(31)29-25(20)18(17)2)15-30(27(34)28-22-6-4-3-5-7-22)14-19-9-11-23-24(12-19)33-16-32-23/h3-13H,14-16H2,1-2H3,(H,28,34)(H,29,31)