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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethylthiourea Traditional Name: 1-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]-3-phenethyl-1-piperonyl-thiourea Formula: C29H29N3O3S MolecularWeight: 499.62386

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)NCCC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NCCC5=CC=CC=C5)C

InChI

InChI=1S/C29H29N3O3S/c1-19-12-20(2)24-15-23(28(33)31-25(24)13-19)17-32(16-22-8-9-26-27(14-22)35-18-34-26)29(36)30-11-10-21-6-4-3-5-7-21/h3-9,12-15H,10-11,16-18H2,1-2H3,(H,30,36)(H,31,33)