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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propionamide Formula: C21H23N3OS2 MolecularWeight: 397.55682

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCN3CCCSC4=CC=CC=C43)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCN3CCCSC4=CC=CC=C43)C#N

InChI

InChI=1S/C21H23N3OS2/c22-14-16-15-6-1-3-8-18(15)27-21(16)23-20(25)10-12-24-11-5-13-26-19-9-4-2-7-17(19)24/h2,4,7,9H,1,3,5-6,8,10-13H2,(H,23,25)