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

Systemtic Name: 2-(hexanoylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: 2-(hexanoylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: 2-(hexanoylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: 2-(caproylthiocarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C17H25N3O2S2 MolecularWeight: 367.5293

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2S2/c1-2-3-5-10-13(21)19-17(23)20-16-14(15(18)22)11-8-6-4-7-9-12(11)24-16/h2-10H2,1H3,(H2,18,22)(H2,19,20,21,23)