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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H13BrN2OS2/c1-10(15(20)18-12-8-6-11(17)7-9-12)21-16-19-13-4-2-3-5-14(13)22-16/h2-10H,1H3,(H,18,20)