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

Systemtic Name: 3-(azepan-1-yl)-4-(4-chlorophenyl)sulfanyl-1-(4-phenoxyphenyl)pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-4-(4-chlorophenyl)sulfanyl-1-(4-phenoxyphenyl)pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-4-[(4-chlorophenyl)thio]-1-(4-phenoxyphenyl)pyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-4-(4-chlorophenyl)sulfanyl-1-(4-phenoxyphenyl)pyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-4-[(4-chlorophenyl)thio]-1-(4-phenoxyphenyl)-3-pyrroline-2,5-quinone Formula: C28H25ClN2O3S MolecularWeight: 505.0277

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)SC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)SC5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H25ClN2O3S/c29-20-10-16-24(17-11-20)35-26-25(30-18-6-1-2-7-19-30)27(32)31(28(26)33)21-12-14-23(15-13-21)34-22-8-4-3-5-9-22/h3-5,8-17H,1-2,6-7,18-19H2