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

Systemtic Name: 3-(azepan-1-yl)-4-(4-chlorophenyl)sulfanyl-1-phenethyl-pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-4-(4-chlorophenyl)sulfanyl-1-phenethyl-pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-4-[(4-chlorophenyl)thio]-1-phenethylpyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-4-(4-chlorophenyl)sulfanyl-1-phenethylpyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-4-[(4-chlorophenyl)thio]-1-phenethyl-3-pyrroline-2,5-quinone Formula: C24H25ClN2O2S MolecularWeight: 440.9855

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)SC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H25ClN2O2S/c25-19-10-12-20(13-11-19)30-22-21(26-15-6-1-2-7-16-26)23(28)27(24(22)29)17-14-18-8-4-3-5-9-18/h3-5,8-13H,1-2,6-7,14-17H2