1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 3-benzyl-1-[(6-ethyl-2-keto-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:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NCC5=CC=CC=C5

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NCC5=CC=CC=C5

InChI

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