4-(3-cyclopentylpropanoyl)-N-(4-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(3-cyclopentylpropanoyl)-N-(4-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(3-cyclopentylpropanoyl)-N-(4-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(3-cyclopentyl-1-oxopropyl)-N-[4-(methylthio)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3-cyclopentylpropanoyl)-N-(4-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-cyclopentylpropanoyl)-N-[4-(methylthio)phenyl]-1,4-diazepane-1-carboxamide Formula: C21H31N3O2S MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C(=O)CCC3CCCC3

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C(=O)CCC3CCCC3

InChI

InChI=1S/C21H31N3O2S/c1-27-19-10-8-18(9-11-19)22-21(26)24-14-4-13-23(15-16-24)20(25)12-7-17-5-2-3-6-17/h8-11,17H,2-7,12-16H2,1H3,(H,22,26)