3-(1,3-benzodioxol-5-yl)-N-benzo[e][1,3]benzothiazol-2-yl-propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-benzo[e][1,3]benzothiazol-2-yl-propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-benzo[e][1,3]benzothiazol-2-yl-propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-(2-benzo[e][1,3]benzothiazolyl)propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-benzo[e][1,3]benzothiazol-2-ylpropanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-benzo[e][1,3]benzothiazol-2-yl-propionamide Formula: C21H16N2O3S MolecularWeight: 376.42834

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCC(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCC(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54

InChI

InChI=1S/C21H16N2O3S/c24-19(10-6-13-5-8-16-17(11-13)26-12-25-16)22-21-23-20-15-4-2-1-3-14(15)7-9-18(20)27-21/h1-5,7-9,11H,6,10,12H2,(H,22,23,24)