1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[(3-nitrophenyl)amino]ethanone

Systemtic Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[(3-nitrophenyl)amino]ethanone Openeye Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(3-nitroanilino)ethanone CAS Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(3-nitroanilino)ethanone IUPAC Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(3-nitroanilino)ethanone Traditional Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(3-nitroanilino)ethanone Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CNC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CNC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O3S/c1-13-9-10-20(16-7-2-3-8-17(16)25-13)18(22)12-19-14-5-4-6-15(11-14)21(23)24/h2-8,11,13,19H,9-10,12H2,1H3