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

Systemtic Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-(diethylamino)benzamide Openeye Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-(diethylamino)benzamide CAS Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-(diethylamino)benzamide IUPAC Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-(diethylamino)benzamide Traditional Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-(diethylamino)benzamide Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3OS/c1-4-24(5-2)16-9-7-15(8-10-16)20(25)23-21-18(13-22)17-11-6-14(3)12-19(17)26-21/h7-10,14H,4-6,11-12H2,1-3H3,(H,23,25)/t14-/m0/s1