N-[3-(benzo[e][1,3]benzothiazol-2-ylamino)-3-oxidanylidene-1-phenyl-propyl]-2-chloranyl-benzamide

Systemtic Name: N-[3-(benzo[e][1,3]benzothiazol-2-ylamino)-3-oxidanylidene-1-phenyl-propyl]-2-chloranyl-benzamide Openeye Name: N-[3-(benzo[e][1,3]benzothiazol-2-ylamino)-3-oxo-1-phenyl-propyl]-2-chloro-benzamide CAS Name: N-[3-(2-benzo[e][1,3]benzothiazolylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide IUPAC Name: N-[3-(benzo[e][1,3]benzothiazol-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide Traditional Name: N-[3-(benzo[e][1,3]benzothiazol-2-ylamino)-3-keto-1-phenyl-propyl]-2-chloro-benzamide Formula: C27H20ClN3O2S MolecularWeight: 485.9846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43)NC(=O)C5=CC=CC=C5Cl

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43)NC(=O)C5=CC=CC=C5Cl

InChI

InChI=1S/C27H20ClN3O2S/c28-21-13-7-6-12-20(21)26(33)29-22(18-9-2-1-3-10-18)16-24(32)30-27-31-25-19-11-5-4-8-17(19)14-15-23(25)34-27/h1-15,22H,16H2,(H,29,33)(H,30,31,32)