N-(4-methylsulfanylphenyl)-4-[2-(oxan-4-yl)ethanoyl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(4-methylsulfanylphenyl)-4-[2-(oxan-4-yl)ethanoyl]-1,4-diazepane-1-carboxamide Openeye Name: N-(4-methylsulfanylphenyl)-4-(2-tetrahydropyran-4-ylacetyl)-1,4-diazepane-1-carboxamide CAS Name: N-[4-(methylthio)phenyl]-4-[2-(4-oxanyl)-1-oxoethyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-methylsulfanylphenyl)-4-[2-(oxan-4-yl)acetyl]-1,4-diazepane-1-carboxamide Traditional Name: N-[4-(methylthio)phenyl]-4-(2-tetrahydropyran-4-ylacetyl)-1,4-diazepane-1-carboxamide Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C(=O)CC3CCOCC3

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C(=O)CC3CCOCC3

InChI

InChI=1S/C20H29N3O3S/c1-27-18-5-3-17(4-6-18)21-20(25)23-10-2-9-22(11-12-23)19(24)15-16-7-13-26-14-8-16/h3-6,16H,2,7-15H2,1H3,(H,21,25)