4-butoxy-N-[(5R)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide

Systemtic Name: 4-butoxy-N-[(5R)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Openeye Name: 4-butoxy-N-[(5R)-3-cyano-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide CAS Name: 4-butoxy-N-[(5R)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide IUPAC Name: 4-butoxy-N-[(5R)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Traditional Name: 4-butoxy-N-[(5R)-3-cyano-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCC(C3)C)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CC[C@H](C3)C)C#N

InChI

InChI=1S/C21H24N2O2S/c1-3-4-11-25-16-8-6-15(7-9-16)20(24)23-21-18(13-22)17-12-14(2)5-10-19(17)26-21/h6-9,14H,3-5,10-12H2,1-2H3,(H,23,24)/t14-/m1/s1