(6S)-2-azanyl-6-tert-butyl-N-(4-ethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: (6S)-2-azanyl-6-tert-butyl-N-(4-ethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-2-amino-6-tert-butyl-N-(4-ethylphenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-2-amino-6-tert-butyl-N-(4-ethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-2-amino-6-tert-butyl-N-(4-ethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-2-amino-6-tert-butyl-N-(4-ethylphenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H28N2OS MolecularWeight: 356.52482

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCC(C3)C(C)(C)C)N

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CC[C@@H](C3)C(C)(C)C)N

InChI

InChI=1S/C21H28N2OS/c1-5-13-6-9-15(10-7-13)23-20(24)18-16-11-8-14(21(2,3)4)12-17(16)25-19(18)22/h6-7,9-10,14H,5,8,11-12,22H2,1-4H3,(H,23,24)/t14-/m0/s1