N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[ethyl-(phenylmethyl)amino]propanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[ethyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[benzyl(ethyl)amino]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[ethyl-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl(ethyl)amino]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Traditional Name: 3-[benzyl(ethyl)amino]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)propionamide Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)NC1=C(C2=C(S1)CCCC2)C#N)CC3=CC=CC=C3

Isomeric SMILES

CCN(CCC(=O)NC1=C(C2=C(S1)CCCC2)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3OS/c1-2-24(15-16-8-4-3-5-9-16)13-12-20(25)23-21-18(14-22)17-10-6-7-11-19(17)26-21/h3-5,8-9H,2,6-7,10-13,15H2,1H3,(H,23,25)