(6S)-6-methyl-2-(3-methylbutanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: (6S)-6-methyl-2-(3-methylbutanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-6-methyl-2-(3-methylbutanoylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-6-methyl-2-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-6-methyl-2-(3-methylbutanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-2-(isovalerylthiocarbamoylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C16H23N3O2S2 MolecularWeight: 353.50272

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)CC(C)C

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)CC(C)C

InChI

InChI=1S/C16H23N3O2S2/c1-8(2)6-12(20)18-16(22)19-15-13(14(17)21)10-5-4-9(3)7-11(10)23-15/h8-9H,4-7H2,1-3H3,(H2,17,21)(H2,18,19,20,22)/t9-/m0/s1