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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-pyrazin-2-ylpiperazin-1-yl)propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(4-pyrazin-2-ylpiperazin-1-yl)propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(2-pyrazinyl)-1-piperazinyl]propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-pyrazin-2-ylpiperazin-1-yl)propanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(4-pyrazin-2-ylpiperazino)propionamide Formula: C20H24N6OS MolecularWeight: 396.50916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCN3CCN(CC3)C4=NC=CN=C4)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCN3CCN(CC3)C4=NC=CN=C4)C#N

InChI

InChI=1S/C20H24N6OS/c21-13-16-15-3-1-2-4-17(15)28-20(16)24-19(27)5-8-25-9-11-26(12-10-25)18-14-22-6-7-23-18/h6-7,14H,1-5,8-12H2,(H,24,27)