N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-(thiophen-2-ylsulfonylamino)propanamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-(thiophen-2-ylsulfonylamino)propanamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-(2-thienylsulfonylamino)propanamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-(thiophen-2-ylsulfonylamino)propanamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-(thiophen-2-ylsulfonylamino)propanamide Traditional Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-(2-thienylsulfonylamino)propionamide Formula: C15H15N3O3S4 MolecularWeight: 413.5579

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCNS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCNS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C15H15N3O3S4/c1-22-15-18-11-5-4-10(9-12(11)24-15)17-13(19)6-7-16-25(20,21)14-3-2-8-23-14/h2-5,8-9,16H,6-7H2,1H3,(H,17,19)