N-(1,3-benzothiazol-2-ylmethyl)-4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(1,3-dioxoisoindolin-2-yl)butanamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(1,3-dioxo-2-isoindolyl)butanamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(1,3-dioxoisoindol-2-yl)butanamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-4-phthalimido-butyramide Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H17N3O3S/c24-17(21-12-18-22-15-8-3-4-9-16(15)27-18)10-5-11-23-19(25)13-6-1-2-7-14(13)20(23)26/h1-4,6-9H,5,10-12H2,(H,21,24)