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

Systemtic Name: 3-(azepan-1-yl)-4-(4-chlorophenyl)sulfanyl-1-(phenylmethyl)pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-1-benzyl-4-(4-chlorophenyl)sulfanyl-pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-4-[(4-chlorophenyl)thio]-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-1-benzyl-4-(4-chlorophenyl)sulfanylpyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-1-benzyl-4-[(4-chlorophenyl)thio]-3-pyrroline-2,5-quinone Formula: C23H23ClN2O2S MolecularWeight: 426.95892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)N(C2=O)CC3=CC=CC=C3)SC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)N(C2=O)CC3=CC=CC=C3)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H23ClN2O2S/c24-18-10-12-19(13-11-18)29-21-20(25-14-6-1-2-7-15-25)22(27)26(23(21)28)16-17-8-4-3-5-9-17/h3-5,8-13H,1-2,6-7,14-16H2