2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)imidazol-4-one

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)imidazol-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-5-(1,3-benzodioxol-5-ylmethylene)-3-(p-tolyl)imidazol-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-4-imidazolone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)imidazol-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-5-piperonylidene-3-(p-tolyl)-2-imidazolin-4-one Formula: C26H27N3O4S MolecularWeight: 477.57528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC4=C(C=C3)OCO4)N=C2SCC(=O)N5CCCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC4=C(C=C3)OCO4)N=C2SCC(=O)N5CCCCCC5

InChI

InChI=1S/C26H27N3O4S/c1-18-6-9-20(10-7-18)29-25(31)21(14-19-8-11-22-23(15-19)33-17-32-22)27-26(29)34-16-24(30)28-12-4-2-3-5-13-28/h6-11,14-15H,2-5,12-13,16-17H2,1H3