N-(1,3-benzothiazol-2-yl)-7-[1,3-bis(oxidanylidene)isoindol-2-yl]heptanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-7-[1,3-bis(oxidanylidene)isoindol-2-yl]heptanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-7-(1,3-dioxoisoindolin-2-yl)heptanamide CAS Name: N-(1,3-benzothiazol-2-yl)-7-(1,3-dioxo-2-isoindolyl)heptanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-7-(1,3-dioxoisoindol-2-yl)heptanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-7-phthalimido-enanthamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCCC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCCC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H21N3O3S/c26-19(24-22-23-17-11-6-7-12-18(17)29-22)13-3-1-2-8-14-25-20(27)15-9-4-5-10-16(15)21(25)28/h4-7,9-12H,1-3,8,13-14H2,(H,23,24,26)