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

Systemtic Name: 2-(pentanoylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: 2-(pentanoylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-[[(1-oxopentylamino)-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: 2-(pentanoylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: 2-(valerylthiocarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C16H23N3O2S2 MolecularWeight: 353.50272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2S2/c1-2-3-9-12(20)18-16(22)19-15-13(14(17)21)10-7-5-4-6-8-11(10)23-15/h2-9H2,1H3,(H2,17,21)(H2,18,19,20,22)