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

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylidene)-2-[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-methylphenyl)imidazol-4-one Openeye Name: 5-(1,3-benzodioxol-5-ylmethylene)-2-[2-(1H-indol-3-yl)-2-oxo-ethyl]sulfanyl-3-(p-tolyl)imidazol-4-one CAS Name: 5-(1,3-benzodioxol-5-ylmethylidene)-2-[[2-(1H-indol-3-yl)-2-oxoethyl]thio]-3-(4-methylphenyl)-4-imidazolone IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylidene)-2-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)imidazol-4-one Traditional Name: 2-[[2-(1H-indol-3-yl)-2-keto-ethyl]thio]-5-piperonylidene-3-(p-tolyl)-2-imidazolin-4-one Formula: C28H21N3O4S MolecularWeight: 495.54904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC4=C(C=C3)OCO4)N=C2SCC(=O)C5=CNC6=CC=CC=C65

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC4=C(C=C3)OCO4)N=C2SCC(=O)C5=CNC6=CC=CC=C65

InChI

InChI=1S/C28H21N3O4S/c1-17-6-9-19(10-7-17)31-27(33)23(12-18-8-11-25-26(13-18)35-16-34-25)30-28(31)36-15-24(32)21-14-29-22-5-3-2-4-20(21)22/h2-14,29H,15-16H2,1H3