2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(3-cyanothiophen-2-yl)propanamide

Systemtic Name: 2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(3-cyanothiophen-2-yl)propanamide Openeye Name: 2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]-N-(3-cyano-2-thienyl)propanamide CAS Name: 2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-N-(3-cyano-2-thiophenyl)propanamide IUPAC Name: 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-cyanothiophen-2-yl)propanamide Traditional Name: 2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]-N-(3-cyano-2-thienyl)propionamide Formula: C20H29N5O2S MolecularWeight: 403.54156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)N2CCN(CC2)CC(=O)N3CCCCCC3

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C#N)N2CCN(CC2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C20H29N5O2S/c1-16(19(27)22-20-17(14-21)6-13-28-20)24-11-9-23(10-12-24)15-18(26)25-7-4-2-3-5-8-25/h6,13,16H,2-5,7-12,15H2,1H3,(H,22,27)