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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(6-phenyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(6-phenylpyrimidin-4-yl)thio]butyramide Formula: C23H22N4OS2 MolecularWeight: 434.57698

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)SC3=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)SC3=NC=NC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H22N4OS2/c1-2-19(29-21-12-18(25-14-26-21)15-8-4-3-5-9-15)22(28)27-23-17(13-24)16-10-6-7-11-20(16)30-23/h3-5,8-9,12,14,19H,2,6-7,10-11H2,1H3,(H,27,28)