3,5-dimethyl-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]-1,2-oxazole-4-carboxamide

Systemtic Name: 3,5-dimethyl-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]-1,2-oxazole-4-carboxamide Openeye Name: 3,5-dimethyl-N-[2-[2-(3-thienyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]isoxazole-4-carboxamide CAS Name: 3,5-dimethyl-N-[2-[2-(3-thiophenyl)ethylthio]-1,3-benzothiazol-6-yl]-4-isoxazolecarboxamide IUPAC Name: 3,5-dimethyl-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]-1,2-oxazole-4-carboxamide Traditional Name: 3,5-dimethyl-N-[2-[2-(3-thienyl)ethylthio]-1,3-benzothiazol-6-yl]isoxazole-4-carboxamide Formula: C19H17N3O2S3 MolecularWeight: 415.55218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4=CSC=C4

Isomeric SMILES

CC1=C(C(=NO1)C)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4=CSC=C4

InChI

InChI=1S/C19H17N3O2S3/c1-11-17(12(2)24-22-11)18(23)20-14-3-4-15-16(9-14)27-19(21-15)26-8-6-13-5-7-25-10-13/h3-5,7,9-10H,6,8H2,1-2H3,(H,20,23)