5-methyl-3-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl]-5-(4-nitrophenyl)imidazolidine-2,4-dione

Systemtic Name: 5-methyl-3-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl]-5-(4-nitrophenyl)imidazolidine-2,4-dione Openeye Name: 5-methyl-3-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl]-5-(4-nitrophenyl)imidazolidine-2,4-dione CAS Name: 5-methyl-3-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]-5-(4-nitrophenyl)imidazolidine-2,4-dione IUPAC Name: 5-methyl-3-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]-5-(4-nitrophenyl)imidazolidine-2,4-dione Traditional Name: 3-[2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl]-5-methyl-5-(4-nitrophenyl)hydantoin Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CN3C(=O)C(NC3=O)(C)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CN3C(=O)C(NC3=O)(C)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5S/c1-14-11-12-24(17-5-3-4-6-18(17)32-14)19(27)13-25-20(28)22(2,23-21(25)29)15-7-9-16(10-8-15)26(30)31/h3-10,14H,11-13H2,1-2H3,(H,23,29)