5-[3-(1,3-benzothiazol-2-yl)propanoylamino]benzene-1,3-dicarboxamide

Systemtic Name: 5-[3-(1,3-benzothiazol-2-yl)propanoylamino]benzene-1,3-dicarboxamide Openeye Name: 5-[3-(1,3-benzothiazol-2-yl)propanoylamino]benzene-1,3-dicarboxamide CAS Name: 5-[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]benzene-1,3-dicarboxamide IUPAC Name: 5-[3-(1,3-benzothiazol-2-yl)propanoylamino]benzene-1,3-dicarboxamide Traditional Name: 5-[3-(1,3-benzothiazol-2-yl)propanoylamino]isophthalamide Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O3S/c19-17(24)10-7-11(18(20)25)9-12(8-10)21-15(23)5-6-16-22-13-3-1-2-4-14(13)26-16/h1-4,7-9H,5-6H2,(H2,19,24)(H2,20,25)(H,21,23)