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

Systemtic Name: 5-[2-(3-aminophenyl)sulfanylpropanoylamino]-4-cyano-3-methyl-N-phenyl-thiophene-2-carboxamide Openeye Name: 5-[2-(3-aminophenyl)sulfanylpropanoylamino]-4-cyano-3-methyl-N-phenyl-thiophene-2-carboxamide CAS Name: 5-[[2-[(3-aminophenyl)thio]-1-oxopropyl]amino]-4-cyano-3-methyl-N-phenyl-2-thiophenecarboxamide IUPAC Name: 5-[2-(3-aminophenyl)sulfanylpropanoylamino]-4-cyano-3-methyl-N-phenylthiophene-2-carboxamide Traditional Name: 5-[2-[(3-aminophenyl)thio]propanoylamino]-4-cyano-3-methyl-N-phenyl-thiophene-2-carboxamide Formula: C22H20N4O2S2 MolecularWeight: 436.5498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C(C)SC2=CC=CC(=C2)N)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C(C)SC2=CC=CC(=C2)N)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H20N4O2S2/c1-13-18(12-23)22(30-19(13)21(28)25-16-8-4-3-5-9-16)26-20(27)14(2)29-17-10-6-7-15(24)11-17/h3-11,14H,24H2,1-2H3,(H,25,28)(H,26,27)