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

Systemtic Name: 2-[4-(phenylmethylsulfanyl)butanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: 2-(4-benzylsulfanylbutanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-[[1-oxo-4-(phenylmethylthio)butyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: 2-(4-benzylsulfanylbutanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: 2-[4-(benzylthio)butanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C21H26N2O2S2 MolecularWeight: 402.57334

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)CCCSCC3=CC=CC=C3

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)CCCSCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2S2/c22-20(25)19-16-10-5-2-6-11-17(16)27-21(19)23-18(24)12-7-13-26-14-15-8-3-1-4-9-15/h1,3-4,8-9H,2,5-7,10-14H2,(H2,22,25)(H,23,24)