N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[(1S)-1-[4-(1-imidazolyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC4=C(S3)CCCC4

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC4=C(S3)CCCC4

InChI

InChI=1S/C20H21N3OS/c1-14(15-6-8-17(9-7-15)23-11-10-21-13-23)22-20(24)19-12-16-4-2-3-5-18(16)25-19/h6-14H,2-5H2,1H3,(H,22,24)/t14-/m0/s1