N-[4-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide Openeye Name: N-[4-[2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]thiophene-2-carboxamide CAS Name: N-[4-[[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]thio]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide Traditional Name: N-[4-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl]thio]phenyl]thiophene-2-carboxamide Formula: C21H18N2O4S2 MolecularWeight: 426.50862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=C(C=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=C(C=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H18N2O4S2/c1-13(20(24)23-15-6-9-17-18(11-15)27-12-26-17)29-16-7-4-14(5-8-16)22-21(25)19-3-2-10-28-19/h2-11,13H,12H2,1H3,(H,22,25)(H,23,24)