N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-(prop-2-ynylsulfamoyl)benzamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-(prop-2-ynylsulfamoyl)benzamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-(prop-2-ynylsulfamoyl)benzamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-(prop-2-ynylsulfamoyl)benzamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-(prop-2-ynylsulfamoyl)benzamide Traditional Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-(propargylsulfamoyl)benzamide Formula: C18H15N3O3S3 MolecularWeight: 417.525

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)NCC#C

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)NCC#C

InChI

InChI=1S/C18H15N3O3S3/c1-3-9-19-27(23,24)14-6-4-5-12(10-14)17(22)20-13-7-8-15-16(11-13)26-18(21-15)25-2/h1,4-8,10-11,19H,9H2,2H3,(H,20,22)