4-(2,4-dichlorophenyl)-9-methyl-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine

Systemtic Name: 4-(2,4-dichlorophenyl)-9-methyl-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine Openeye Name: 4-(2,4-dichlorophenyl)-9-methyl-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine CAS Name: 4-(2,4-dichlorophenyl)-9-methyl-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine IUPAC Name: 4-(2,4-dichlorophenyl)-9-methyl-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine Traditional Name: 4-(2,4-dichlorophenyl)-9-methyl-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine Formula: C22H16Cl2N2O2S MolecularWeight: 443.34564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(CC(S2)C3=CC=C(C=C3)[N+](=O)[O-])C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(CC(S2)C3=CC=C(C=C3)[N+](=O)[O-])C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H16Cl2N2O2S/c1-13-3-2-4-19-22(13)29-21(14-5-8-16(9-6-14)26(27)28)12-20(25-19)17-10-7-15(23)11-18(17)24/h2-11,21H,12H2,1H3