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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 3-benzyl-1-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]-1-piperonyl-thiourea Formula: C28H27N3O3S MolecularWeight: 485.59728

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)NCC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NCC5=CC=CC=C5)C

InChI

InChI=1S/C28H27N3O3S/c1-18-10-19(2)23-13-22(27(32)30-24(23)11-18)16-31(28(35)29-14-20-6-4-3-5-7-20)15-21-8-9-25-26(12-21)34-17-33-25/h3-13H,14-17H2,1-2H3,(H,29,35)(H,30,32)