3-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-bromophenyl)propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-bromophenyl)propanamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-bromophenyl)propanamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-(4-bromophenyl)propanamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-bromophenyl)propanamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-(4-bromophenyl)propionamide Formula: C16H13BrN2OS2 MolecularWeight: 393.32122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H13BrN2OS2/c17-11-5-7-12(8-6-11)18-15(20)9-10-21-16-19-13-3-1-2-4-14(13)22-16/h1-8H,9-10H2,(H,18,20)