N-[2-(2-cyano-5-propyl-pyrrol-1-yl)ethyl]-5-oxidanylidene-1,4-thiazepane-3-carboxamide

Systemtic Name: N-[2-(2-cyano-5-propyl-pyrrol-1-yl)ethyl]-5-oxidanylidene-1,4-thiazepane-3-carboxamide Openeye Name: N-[2-(2-cyano-5-propyl-pyrrol-1-yl)ethyl]-5-oxo-1,4-thiazepane-3-carboxamide CAS Name: N-[2-(2-cyano-5-propyl-1-pyrrolyl)ethyl]-5-oxo-1,4-thiazepane-3-carboxamide IUPAC Name: N-[2-(2-cyano-5-propylpyrrol-1-yl)ethyl]-5-oxo-1,4-thiazepane-3-carboxamide Traditional Name: N-[2-(2-cyano-5-propyl-pyrrol-1-yl)ethyl]-5-keto-1,4-thiazepane-3-carboxamide Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(N1CCNC(=O)C2CSCCC(=O)N2)C#N

Isomeric SMILES

CCCC1=CC=C(N1CCNC(=O)C2CSCCC(=O)N2)C#N

InChI

InChI=1S/C16H22N4O2S/c1-2-3-12-4-5-13(10-17)20(12)8-7-18-16(22)14-11-23-9-6-15(21)19-14/h4-5,14H,2-3,6-9,11H2,1H3,(H,18,22)(H,19,21)