3-chloranyl-N-(2-phenacylsulfanyl-1,3-benzothiazol-6-yl)benzamide

Systemtic Name: 3-chloranyl-N-(2-phenacylsulfanyl-1,3-benzothiazol-6-yl)benzamide Openeye Name: 3-chloro-N-(2-phenacylsulfanyl-1,3-benzothiazol-6-yl)benzamide CAS Name: 3-chloro-N-[2-(phenacylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3-chloro-N-(2-phenacylsulfanyl-1,3-benzothiazol-6-yl)benzamide Traditional Name: 3-chloro-N-[2-(phenacylthio)-1,3-benzothiazol-6-yl]benzamide Formula: C22H15ClN2O2S2 MolecularWeight: 438.9497

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H15ClN2O2S2/c23-16-8-4-7-15(11-16)21(27)24-17-9-10-18-20(12-17)29-22(25-18)28-13-19(26)14-5-2-1-3-6-14/h1-12H,13H2,(H,24,27)