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

Systemtic Name: (6S)-6-tert-butyl-2-(3-methylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-6-tert-butyl-2-(3-methylbutanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-6-tert-butyl-2-[(3-methyl-1-oxobutyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-6-tert-butyl-2-(3-methylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-6-tert-butyl-2-(isovalerylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)N

Isomeric SMILES

CC(C)CC(=O)NC1=C(C2=C(S1)C[C@H](CC2)C(C)(C)C)C(=O)N

InChI

InChI=1S/C18H28N2O2S/c1-10(2)8-14(21)20-17-15(16(19)22)12-7-6-11(18(3,4)5)9-13(12)23-17/h10-11H,6-9H2,1-5H3,(H2,19,22)(H,20,21)/t11-/m0/s1