N-[3-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide

Systemtic Name: N-[3-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide Openeye Name: N-[3-[2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]naphthalene-2-carboxamide CAS Name: N-[3-[[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]thio]phenyl]-2-naphthalenecarboxamide IUPAC Name: N-[3-[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide Traditional Name: N-[3-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl]thio]phenyl]-2-naphthamide Formula: C27H22N2O4S MolecularWeight: 470.53958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=CC(=C3)NC(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=CC(=C3)NC(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H22N2O4S/c1-17(26(30)28-22-11-12-24-25(15-22)33-16-32-24)34-23-8-4-7-21(14-23)29-27(31)20-10-9-18-5-2-3-6-19(18)13-20/h2-15,17H,16H2,1H3,(H,28,30)(H,29,31)