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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenyl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylthiourea Traditional Name: 1-[(2-keto-5,7-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=CC(=C2C=C(C(=O)NC2=C1)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC5=CC=CC=C5)C

InChI

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