3-chloranyl-N-[(2S)-2-(diethylamino)-2-phenyl-ethyl]-6-methyl-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(2S)-2-(diethylamino)-2-phenyl-ethyl]-6-methyl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(2S)-2-(diethylamino)-2-phenyl-ethyl]-6-methyl-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(2S)-2-(diethylamino)-2-phenylethyl]-6-methyl-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(2S)-2-(diethylamino)-2-phenylethyl]-6-methyl-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(2S)-2-(diethylamino)-2-phenyl-ethyl]-6-methyl-benzothiophene-2-carboxamide Formula: C22H25ClN2OS MolecularWeight: 400.9647

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CNC(=O)C1=C(C2=C(S1)C=C(C=C2)C)Cl)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)[C@H](CNC(=O)C1=C(C2=C(S1)C=C(C=C2)C)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H25ClN2OS/c1-4-25(5-2)18(16-9-7-6-8-10-16)14-24-22(26)21-20(23)17-12-11-15(3)13-19(17)27-21/h6-13,18H,4-5,14H2,1-3H3,(H,24,26)/t18-/m1/s1