1-phenethyl-3-phenylsulfanyl-4-[(4-propan-2-ylphenyl)amino]pyrrole-2,5-dione

Systemtic Name: 1-phenethyl-3-phenylsulfanyl-4-[(4-propan-2-ylphenyl)amino]pyrrole-2,5-dione Openeye Name: 3-(4-isopropylanilino)-1-phenethyl-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-phenethyl-3-(phenylthio)-4-(4-propan-2-ylanilino)pyrrole-2,5-dione IUPAC Name: 1-phenethyl-3-phenylsulfanyl-4-(4-propan-2-ylanilino)pyrrole-2,5-dione Traditional Name: 3-cumidino-1-phenethyl-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C27H26N2O2S MolecularWeight: 442.57254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O2S/c1-19(2)21-13-15-22(16-14-21)28-24-25(32-23-11-7-4-8-12-23)27(31)29(26(24)30)18-17-20-9-5-3-6-10-20/h3-16,19,28H,17-18H2,1-2H3