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

Systemtic Name: 3-(azepan-1-yl)-1-(4-butylphenyl)-4-(4-chlorophenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-1-(4-butylphenyl)-4-(4-chlorophenyl)sulfanyl-pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-1-(4-butylphenyl)-4-[(4-chlorophenyl)thio]pyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-1-(4-butylphenyl)-4-(4-chlorophenyl)sulfanylpyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-1-(4-butylphenyl)-4-[(4-chlorophenyl)thio]-3-pyrroline-2,5-quinone Formula: C26H29ClN2O2S MolecularWeight: 469.03866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)Cl)N4CCCCCC4

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)Cl)N4CCCCCC4

InChI

InChI=1S/C26H29ClN2O2S/c1-2-3-8-19-9-13-21(14-10-19)29-25(30)23(28-17-6-4-5-7-18-28)24(26(29)31)32-22-15-11-20(27)12-16-22/h9-16H,2-8,17-18H2,1H3