1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[2-(4-nitrophenyl)ethylamino]propan-1-one

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[2-(4-nitrophenyl)ethylamino]propan-1-one Openeye Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[2-(4-nitrophenyl)ethylamino]propan-1-one CAS Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[2-(4-nitrophenyl)ethylamino]-1-propanone IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[2-(4-nitrophenyl)ethylamino]propan-1-one Traditional Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[2-(4-nitrophenyl)ethylamino]propan-1-one Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C(=O)CCNCCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=O)CCNCCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O3S/c24-20(22-14-3-15-27-19-5-2-1-4-18(19)22)11-13-21-12-10-16-6-8-17(9-7-16)23(25)26/h1-2,4-9,21H,3,10-15H2