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

Systemtic Name: 2-(3-methylbutanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-(3-methylbutanoylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-(3-methylbutanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-(isovalerylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C15H21N3O2S2 MolecularWeight: 339.47614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)N

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)N

InChI

InChI=1S/C15H21N3O2S2/c1-8(2)7-11(19)17-15(21)18-14-12(13(16)20)9-5-3-4-6-10(9)22-14/h8H,3-7H2,1-2H3,(H2,16,20)(H2,17,18,19,21)