(6S)-2-azanyl-6-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: (6S)-2-azanyl-6-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-2-amino-6-methyl-N-(3-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-2-amino-6-methyl-N-(3-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-2-amino-6-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-2-amino-6-methyl-N-(3-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C16H19N3OS MolecularWeight: 301.40656

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)NCC3=CN=CC=C3)N

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)NCC3=CN=CC=C3)N

InChI

InChI=1S/C16H19N3OS/c1-10-4-5-12-13(7-10)21-15(17)14(12)16(20)19-9-11-3-2-6-18-8-11/h2-3,6,8,10H,4-5,7,9,17H2,1H3,(H,19,20)/t10-/m0/s1