3-(1,3-benzodioxol-5-ylamino)-N-(4-methylphenyl)-1,1-bis(oxidanylidene)-1-benzothiophene-2-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-ylamino)-N-(4-methylphenyl)-1,1-bis(oxidanylidene)-1-benzothiophene-2-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-ylamino)-1,1-dioxo-N-(p-tolyl)benzothiophene-2-carboxamide CAS Name: 3-(1,3-benzodioxol-5-ylamino)-N-(4-methylphenyl)-1,1-dioxo-1-benzothiophene-2-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-ylamino)-N-(4-methylphenyl)-1,1-dioxo-1-benzothiophene-2-carboxamide Traditional Name: 3-(1,3-benzodioxol-5-ylamino)-1,1-diketo-N-(p-tolyl)benzothiophene-2-carboxamide Formula: C23H18N2O5S MolecularWeight: 434.46442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3S2(=O)=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3S2(=O)=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H18N2O5S/c1-14-6-8-15(9-7-14)25-23(26)22-21(17-4-2-3-5-20(17)31(22,27)28)24-16-10-11-18-19(12-16)30-13-29-18/h2-12,24H,13H2,1H3,(H,25,26)