2-(3-aminophenyl)sulfanyl-N-[3-cyano-4-(4-methylphenyl)thiophen-2-yl]butanamide

Systemtic Name: 2-(3-aminophenyl)sulfanyl-N-[3-cyano-4-(4-methylphenyl)thiophen-2-yl]butanamide Openeye Name: 2-(3-aminophenyl)sulfanyl-N-[3-cyano-4-(p-tolyl)-2-thienyl]butanamide CAS Name: 2-[(3-aminophenyl)thio]-N-[3-cyano-4-(4-methylphenyl)-2-thiophenyl]butanamide IUPAC Name: 2-(3-aminophenyl)sulfanyl-N-[3-cyano-4-(4-methylphenyl)thiophen-2-yl]butanamide Traditional Name: 2-[(3-aminophenyl)thio]-N-[3-cyano-4-(p-tolyl)-2-thienyl]butyramide Formula: C22H21N3OS2 MolecularWeight: 407.55164

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C)C#N)SC3=CC=CC(=C3)N

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C)C#N)SC3=CC=CC(=C3)N

InChI

InChI=1S/C22H21N3OS2/c1-3-20(28-17-6-4-5-16(24)11-17)21(26)25-22-18(12-23)19(13-27-22)15-9-7-14(2)8-10-15/h4-11,13,20H,3,24H2,1-2H3,(H,25,26)