5-[2-(4-aminophenyl)sulfanylethanoylamino]-4-cyano-3-methyl-N-phenyl-thiophene-2-carboxamide

Systemtic Name: 5-[2-(4-aminophenyl)sulfanylethanoylamino]-4-cyano-3-methyl-N-phenyl-thiophene-2-carboxamide Openeye Name: 5-[[2-(4-aminophenyl)sulfanylacetyl]amino]-4-cyano-3-methyl-N-phenyl-thiophene-2-carboxamide CAS Name: 5-[[2-[(4-aminophenyl)thio]-1-oxoethyl]amino]-4-cyano-3-methyl-N-phenyl-2-thiophenecarboxamide IUPAC Name: 5-[[2-(4-aminophenyl)sulfanylacetyl]amino]-4-cyano-3-methyl-N-phenylthiophene-2-carboxamide Traditional Name: 5-[[2-[(4-aminophenyl)thio]acetyl]amino]-4-cyano-3-methyl-N-phenyl-thiophene-2-carboxamide Formula: C21H18N4O2S2 MolecularWeight: 422.52322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CSC2=CC=C(C=C2)N)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CSC2=CC=C(C=C2)N)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H18N4O2S2/c1-13-17(11-22)21(25-18(26)12-28-16-9-7-14(23)8-10-16)29-19(13)20(27)24-15-5-3-2-4-6-15/h2-10H,12,23H2,1H3,(H,24,27)(H,25,26)