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

Systemtic Name: 2-[4-[4-(3-methyl-2-oxidanylidene-1,3-benzothiazol-6-yl)butyl-propyl-amino]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)butyl-propyl-amino]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)butyl-propylamino]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)butyl-propylamino]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(2-keto-3-methyl-1,3-benzothiazol-6-yl)butyl-propyl-amino]butyl]isoindoline-1,3-quinone Formula: C27H33N3O3S MolecularWeight: 479.63422

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCC1=CC2=C(C=C1)N(C(=O)S2)C)CCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCN(CCCCC1=CC2=C(C=C1)N(C(=O)S2)C)CCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C27H33N3O3S/c1-3-15-29(16-7-6-10-20-13-14-23-24(19-20)34-27(33)28(23)2)17-8-9-18-30-25(31)21-11-4-5-12-22(21)26(30)32/h4-5,11-14,19H,3,6-10,15-18H2,1-2H3