4-(2-cyclopentylethanoyl)-N-(4-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(2-cyclopentylethanoyl)-N-(4-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(2-cyclopentylacetyl)-N-(4-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(2-cyclopentyl-1-oxoethyl)-N-[4-(methylthio)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(2-cyclopentylacetyl)-N-(4-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(2-cyclopentylacetyl)-N-[4-(methylthio)phenyl]-1,4-diazepane-1-carboxamide Formula: C20H29N3O2S MolecularWeight: 375.52816

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C(=O)CC3CCCC3

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C(=O)CC3CCCC3

InChI

InChI=1S/C20H29N3O2S/c1-26-18-9-7-17(8-10-18)21-20(25)23-12-4-11-22(13-14-23)19(24)15-16-5-2-3-6-16/h7-10,16H,2-6,11-15H2,1H3,(H,21,25)