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

Systemtic Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-thiomorpholin-4-yl-pyrrolidine-2,5-dione Openeye Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-thiomorpholino-pyrrolidine-2,5-dione CAS Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-thiomorpholin-4-ylpyrrolidine-2,5-dione IUPAC Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-thiomorpholin-4-ylpyrrolidine-2,5-dione Traditional Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-thiomorpholino-pyrrolidine-2,5-quinone Formula: C22H21N3O2S2 MolecularWeight: 423.55104

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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)N5CCSCC5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C(=O)CC(C4=O)N5CCSCC5

InChI

InChI=1S/C22H21N3O2S2/c1-14-2-7-17-19(12-14)29-21(23-17)15-3-5-16(6-4-15)25-20(26)13-18(22(25)27)24-8-10-28-11-9-24/h2-7,12,18H,8-11,13H2,1H3