N-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-keto-3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propyl]-4-nitro-benzamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O4S/c1-14-11-13-22(17-4-2-3-5-18(17)28-14)19(24)10-12-21-20(25)15-6-8-16(9-7-15)23(26)27/h2-9,14H,10-13H2,1H3,(H,21,25)