2-(4-aminophenyl)sulfanyl-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide

Systemtic Name: 2-(4-aminophenyl)sulfanyl-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide Openeye Name: 2-(4-aminophenyl)sulfanyl-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)butanamide CAS Name: 2-[(4-aminophenyl)thio]-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide IUPAC Name: 2-(4-aminophenyl)sulfanyl-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide Traditional Name: 2-[(4-aminophenyl)thio]-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)butyramide Formula: C25H25N3OS2 MolecularWeight: 447.6155

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C3=CC=CC=C3)C#N)SC4=CC=C(C=C4)N

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C3=CC=CC=C3)C#N)SC4=CC=C(C=C4)N

InChI

InChI=1S/C25H25N3OS2/c1-2-22(30-19-11-9-18(27)10-12-19)24(29)28-25-21(15-26)20-13-8-17(14-23(20)31-25)16-6-4-3-5-7-16/h3-7,9-12,17,22H,2,8,13-14,27H2,1H3,(H,28,29)