2-[4-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]butyl]isoindoline-1,3-quinone Formula: C26H23N3O2S MolecularWeight: 441.54472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NCCCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NCCCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H23N3O2S/c1-17-8-13-22-23(16-17)32-24(28-22)18-9-11-19(12-10-18)27-14-4-5-15-29-25(30)20-6-2-3-7-21(20)26(29)31/h2-3,6-13,16,27H,4-5,14-15H2,1H3