2-(2-methylpropanoylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Systemtic Name: 2-(2-methylpropanoylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: 2-(2-methylpropanoylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: 2-(2-methylpropanoylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: 2-(isobutyrylthiocarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C15H21N3O2S2 MolecularWeight: 339.47614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(=S)NC1=C(C2=C(S1)CCCCC2)C(=O)N

Isomeric SMILES

CC(C)C(=O)NC(=S)NC1=C(C2=C(S1)CCCCC2)C(=O)N

InChI

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