N'-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-phenethyl-ethanediamide

Systemtic Name: N'-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-phenethyl-ethanediamide Openeye Name: N'-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-N-phenethyl-oxamide CAS Name: N'-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-phenethyloxamide IUPAC Name: N'-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-phenethyloxamide Traditional Name: N'-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-N-phenethyl-oxamide Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2S/c1-13-7-8-15-16(12-21)20(26-17(15)11-13)23-19(25)18(24)22-10-9-14-5-3-2-4-6-14/h2-6,13H,7-11H2,1H3,(H,22,24)(H,23,25)