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

Systemtic Name: 2-(2-methylpropanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-(2-methylpropanoylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-(2-methylpropanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-(isobutyrylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C14H19N3O2S2 MolecularWeight: 325.44956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O2S2/c1-7(2)12(19)16-14(20)17-13-10(11(15)18)8-5-3-4-6-9(8)21-13/h7H,3-6H2,1-2H3,(H2,15,18)(H2,16,17,19,20)