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

Systemtic Name: 5-[2-(3-aminophenyl)sulfanylbutanoylamino]-4-cyano-3-methyl-N-phenyl-thiophene-2-carboxamide Openeye Name: 5-[2-(3-aminophenyl)sulfanylbutanoylamino]-4-cyano-3-methyl-N-phenyl-thiophene-2-carboxamide CAS Name: 5-[[2-[(3-aminophenyl)thio]-1-oxobutyl]amino]-4-cyano-3-methyl-N-phenyl-2-thiophenecarboxamide IUPAC Name: 5-[2-(3-aminophenyl)sulfanylbutanoylamino]-4-cyano-3-methyl-N-phenylthiophene-2-carboxamide Traditional Name: 5-[2-[(3-aminophenyl)thio]butanoylamino]-4-cyano-3-methyl-N-phenyl-thiophene-2-carboxamide Formula: C23H22N4O2S2 MolecularWeight: 450.57638

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C(=O)NC2=CC=CC=C2)C)C#N)SC3=CC=CC(=C3)N

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C(=O)NC2=CC=CC=C2)C)C#N)SC3=CC=CC(=C3)N

InChI

InChI=1S/C23H22N4O2S2/c1-3-19(30-17-11-7-8-15(25)12-17)21(28)27-23-18(13-24)14(2)20(31-23)22(29)26-16-9-5-4-6-10-16/h4-12,19H,3,25H2,1-2H3,(H,26,29)(H,27,28)