2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(4-pyrrolidin-1-ylphenyl)ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(4-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-[4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(4-pyrrolidinophenyl)acetamide Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)CN3CCCSC4=CC=CC=C43

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)CN3CCCSC4=CC=CC=C43

InChI

InChI=1S/C21H25N3OS/c25-21(16-24-14-5-15-26-20-7-2-1-6-19(20)24)22-17-8-10-18(11-9-17)23-12-3-4-13-23/h1-2,6-11H,3-5,12-16H2,(H,22,25)