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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-phenethyl-butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-(1,3-dioxoisoindolin-2-yl)-N-phenethyl-butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-(1,3-dioxo-2-isoindolyl)-N-phenethylbutanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)-N-phenethylbutanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-phenethyl-4-phthalimido-butyramide Formula: C27H23N3O3S MolecularWeight: 469.55482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(C2=NC3=CC=CC=C3S2)C(=O)CCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)CCN(C2=NC3=CC=CC=C3S2)C(=O)CCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H23N3O3S/c31-24(15-8-17-30-25(32)20-11-4-5-12-21(20)26(30)33)29(18-16-19-9-2-1-3-10-19)27-28-22-13-6-7-14-23(22)34-27/h1-7,9-14H,8,15-18H2