2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-(4-phenoxyphenyl)propanamide IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-(4-phenoxyphenyl)propionamide Formula: C22H17ClN2O2S2 MolecularWeight: 440.96558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C22H17ClN2O2S2/c1-14(28-22-25-19-13-15(23)7-12-20(19)29-22)21(26)24-16-8-10-18(11-9-16)27-17-5-3-2-4-6-17/h2-14H,1H3,(H,24,26)