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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=C(C2=C(S1)CC(CC2)C)C(=O)N

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=C(C2=C(S1)C[C@H](CC2)C)C(=O)N

InChI

InChI=1S/C16H23N3O2S2/c1-3-4-5-12(20)18-16(22)19-15-13(14(17)21)10-7-6-9(2)8-11(10)23-15/h9H,3-8H2,1-2H3,(H2,17,21)(H2,18,19,20,22)/t9-/m0/s1