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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O2S2/c1-7(2)13(20)17-15(21)18-14-11(12(16)19)9-5-4-8(3)6-10(9)22-14/h7-8H,4-6H2,1-3H3,(H2,16,19)(H2,17,18,20,21)