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

Systemtic Name: 3-(azepan-1-yl)-1-(2-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-1-(2-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-1-(2-chlorophenyl)-4-[(4-chlorophenyl)thio]pyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-1-(2-chlorophenyl)-4-(4-chlorophenyl)sulfanylpyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-1-(2-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=CC=C3Cl)SC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=CC=C3Cl)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H20Cl2N2O2S/c23-15-9-11-16(12-10-15)29-20-19(25-13-5-1-2-6-14-25)21(27)26(22(20)28)18-8-4-3-7-17(18)24/h3-4,7-12H,1-2,5-6,13-14H2