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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propionamide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCN3CCC4=CC=CC=C4C3)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCN3CCC4=CC=CC=C4C3)C#N

InChI

InChI=1S/C21H23N3OS/c22-13-18-17-7-3-4-8-19(17)26-21(18)23-20(25)10-12-24-11-9-15-5-1-2-6-16(15)14-24/h1-2,5-6H,3-4,7-12,14H2,(H,23,25)