N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-[2-(cyclopropylamino)-2-oxidanylidene-ethanoyl]piperazin-1-yl]propanamide

Systemtic Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-[2-(cyclopropylamino)-2-oxidanylidene-ethanoyl]piperazin-1-yl]propanamide Openeye Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-[2-(cyclopropylamino)-2-oxo-acetyl]piperazin-1-yl]propanamide CAS Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-[2-(cyclopropylamino)-1,2-dioxoethyl]-1-piperazinyl]propanamide IUPAC Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-[2-(cyclopropylamino)-2-oxoacetyl]piperazin-1-yl]propanamide Traditional Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-[2-(cyclopropylamino)-2-keto-acetyl]piperazino]propionamide Formula: C22H29N5O3S MolecularWeight: 443.56236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CCCCC2)C#N)N3CCN(CC3)C(=O)C(=O)NC4CC4

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CCCCC2)C#N)N3CCN(CC3)C(=O)C(=O)NC4CC4

InChI

InChI=1S/C22H29N5O3S/c1-14(26-9-11-27(12-10-26)22(30)20(29)24-15-7-8-15)19(28)25-21-17(13-23)16-5-3-2-4-6-18(16)31-21/h14-15H,2-12H2,1H3,(H,24,29)(H,25,28)