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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methoxyphenyl)sulfanyl-butanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2-methoxyphenyl)sulfanyl-butanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(2-methoxyphenyl)thio]butanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methoxyphenyl)sulfanylbutanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(2-methoxyphenyl)thio]butyramide Formula: C20H22N2O2S2 MolecularWeight: 386.53088

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)SC3=CC=CC=C3OC

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)SC3=CC=CC=C3OC

InChI

InChI=1S/C20H22N2O2S2/c1-3-16(25-18-11-7-5-9-15(18)24-2)19(23)22-20-14(12-21)13-8-4-6-10-17(13)26-20/h5,7,9,11,16H,3-4,6,8,10H2,1-2H3,(H,22,23)