N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanamide Openeye Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(1-methylene-3-oxo-isoindolin-2-yl)propanamide CAS Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(1-methylene-3-oxo-2-isoindolyl)propanamide IUPAC Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(1-keto-3-methylene-isoindolin-2-yl)propionamide Formula: C26H21N3O2S MolecularWeight: 439.52884

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C2=CC=CC=C2C(=O)N1CCC(=O)NC3=CC=C(C=C3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C=C1C2=CC=CC=C2C(=O)N1CCC(=O)NC3=CC=C(C=C3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H21N3O2S/c1-17-20-6-2-3-7-21(20)26(31)29(17)15-14-24(30)27-19-12-10-18(11-13-19)16-25-28-22-8-4-5-9-23(22)32-25/h2-13H,1,14-16H2,(H,27,30)