N-[3-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]phenyl]pyridine-3-carboxamide

Systemtic Name: N-[3-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]phenyl]pyridine-3-carboxamide Openeye Name: N-[3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]phenyl]pyridine-3-carboxamide CAS Name: N-[3-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]phenyl]pyridine-3-carboxamide Traditional Name: N-[3-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]phenyl]nicotinamide Formula: C21H16N4O2S2 MolecularWeight: 420.50734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NC3=CC=CC(=C3)NC(=O)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NC3=CC=CC(=C3)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H16N4O2S2/c26-19(13-28-21-25-17-8-1-2-9-18(17)29-21)23-15-6-3-7-16(11-15)24-20(27)14-5-4-10-22-12-14/h1-12H,13H2,(H,23,26)(H,24,27)