1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-propan-2-ylsulfanyl-pyrrolidine-2,5-dione

Systemtic Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-propan-2-ylsulfanyl-pyrrolidine-2,5-dione Openeye Name: 3-isopropylsulfanyl-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-dione CAS Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(propan-2-ylthio)pyrrolidine-2,5-dione IUPAC Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-propan-2-ylsulfanylpyrrolidine-2,5-dione Traditional Name: 3-(isopropylthio)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-quinone Formula: C21H20N2O2S2 MolecularWeight: 396.5257

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C(=O)CC(C4=O)SC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C(=O)CC(C4=O)SC(C)C

InChI

InChI=1S/C21H20N2O2S2/c1-12(2)26-18-11-19(24)23(21(18)25)15-7-5-14(6-8-15)20-22-16-9-4-13(3)10-17(16)27-20/h4-10,12,18H,11H2,1-3H3