N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-oxidanylidenepiperazin-1-yl)propanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-oxidanylidenepiperazin-1-yl)propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(3-oxopiperazin-1-yl)propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-oxo-1-piperazinyl)propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-oxopiperazin-1-yl)propanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(3-ketopiperazino)propionamide Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCN3CCNC(=O)C3)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCN3CCNC(=O)C3)C#N

InChI

InChI=1S/C16H20N4O2S/c17-9-12-11-3-1-2-4-13(11)23-16(12)19-14(21)5-7-20-8-6-18-15(22)10-20/h1-8,10H2,(H,18,22)(H,19,21)