3-(azepan-1-yl)-1-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-pyrrole-2,5-dione

Systemtic Name: 3-(azepan-1-yl)-1-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-1-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-1-(4-chlorophenyl)-4-[(4-chlorophenyl)thio]pyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-1-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanylpyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-1-(4-chlorophenyl)-4-[(4-chlorophenyl)thio]-3-pyrroline-2,5-quinone Formula: C22H20Cl2N2O2S MolecularWeight: 447.3774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)Cl)SC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)Cl)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H20Cl2N2O2S/c23-15-5-9-17(10-6-15)26-21(27)19(25-13-3-1-2-4-14-25)20(22(26)28)29-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2