5-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]benzene-1,3-dicarboxamide

Systemtic Name: 5-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]benzene-1,3-dicarboxamide Openeye Name: 5-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]benzene-1,3-dicarboxamide CAS Name: 5-[[4-(1,3-benzothiazol-2-ylthio)-1-oxobutyl]amino]benzene-1,3-dicarboxamide IUPAC Name: 5-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]benzene-1,3-dicarboxamide Traditional Name: 5-[4-(1,3-benzothiazol-2-ylthio)butanoylamino]isophthalamide Formula: C19H18N4O3S2 MolecularWeight: 414.50122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O3S2/c20-17(25)11-8-12(18(21)26)10-13(9-11)22-16(24)6-3-7-27-19-23-14-4-1-2-5-15(14)28-19/h1-2,4-5,8-10H,3,6-7H2,(H2,20,25)(H2,21,26)(H,22,24)