N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide Formula: C19H21N3O2S2 MolecularWeight: 387.51894

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)CC(=O)NC3=CC=CC=C3SCC(=O)N

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)CC(=O)NC3=CC=CC=C3SCC(=O)N

InChI

InChI=1S/C19H21N3O2S2/c20-18(23)13-26-16-8-3-1-6-14(16)21-19(24)12-22-10-5-11-25-17-9-4-2-7-15(17)22/h1-4,6-9H,5,10-13H2,(H2,20,23)(H,21,24)