N-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]-4-methyl-benzamide

Systemtic Name: N-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]-4-methyl-benzamide Openeye Name: N-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanylphenyl]-4-methyl-benzamide CAS Name: N-[3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]phenyl]-4-methylbenzamide IUPAC Name: N-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide Traditional Name: N-[3-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]phenyl]-4-methyl-benzamide Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H20N2O4S/c1-15-5-7-16(8-6-15)23(27)25-17-3-2-4-19(11-17)30-13-22(26)24-18-9-10-20-21(12-18)29-14-28-20/h2-12H,13-14H2,1H3,(H,24,26)(H,25,27)