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

Systemtic Name: 3-(azepan-1-yl)-1-(phenylmethyl)-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-1-benzyl-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-1-(phenylmethyl)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-1-benzyl-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-1-benzyl-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C23H24N2O2S MolecularWeight: 392.51386

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O2S/c26-22-20(24-15-9-1-2-10-16-24)21(28-19-13-7-4-8-14-19)23(27)25(22)17-18-11-5-3-6-12-18/h3-8,11-14H,1-2,9-10,15-17H2