3-acetamido-N-benzo[e][1,3]benzothiazol-2-yl-3-phenyl-propanamide

Systemtic Name: 3-acetamido-N-benzo[e][1,3]benzothiazol-2-yl-3-phenyl-propanamide Openeye Name: 3-acetamido-N-benzo[e][1,3]benzothiazol-2-yl-3-phenyl-propanamide CAS Name: 3-acetamido-N-(2-benzo[e][1,3]benzothiazolyl)-3-phenylpropanamide IUPAC Name: 3-acetamido-N-benzo[e][1,3]benzothiazol-2-yl-3-phenylpropanamide Traditional Name: 3-acetamido-N-benzo[e][1,3]benzothiazol-2-yl-3-phenyl-propionamide Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NC1=NC2=C(S1)C=CC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC(CC(=O)NC1=NC2=C(S1)C=CC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C22H19N3O2S/c1-14(26)23-18(16-8-3-2-4-9-16)13-20(27)24-22-25-21-17-10-6-5-7-15(17)11-12-19(21)28-22/h2-12,18H,13H2,1H3,(H,23,26)(H,24,25,27)