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

Systemtic Name: 3-butoxy-N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Openeye Name: 3-butoxy-N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide CAS Name: 3-butoxy-N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide IUPAC Name: 3-butoxy-N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Traditional Name: 3-butoxy-N-[(6S)-3-cyano-6-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=CC(=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C)C#N

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)C[C@H](CC3)C)C#N

InChI

InChI=1S/C21H24N2O2S/c1-3-4-10-25-16-7-5-6-15(12-16)20(24)23-21-18(13-22)17-9-8-14(2)11-19(17)26-21/h5-7,12,14H,3-4,8-11H2,1-2H3,(H,23,24)/t14-/m0/s1