3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(6-butyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(6-butyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-(1,3-dioxoisoindolin-2-yl)propanamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-(1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-phthalimido-propionamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H21N3O3S/c1-2-3-6-14-9-10-17-18(13-14)29-22(23-17)24-19(26)11-12-25-20(27)15-7-4-5-8-16(15)21(25)28/h4-5,7-10,13H,2-3,6,11-12H2,1H3,(H,23,24,26)