N-[4-[[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]carbamoyl]phenyl]-2-cyano-ethanamide

Systemtic Name: N-[4-[[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]carbamoyl]phenyl]-2-cyano-ethanamide Openeye Name: N-[4-[[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]carbamoyl]phenyl]-2-cyano-acetamide CAS Name: N-[4-[[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]hydrazo]-oxomethyl]phenyl]-2-cyanoacetamide IUPAC Name: N-[4-[[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]carbamoyl]phenyl]-2-cyanoacetamide Traditional Name: N-[4-[[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]carbamoyl]phenyl]-2-cyano-acetamide Formula: C19H15N5O3S2 MolecularWeight: 425.4841

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NNC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NNC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C19H15N5O3S2/c20-10-9-16(25)21-13-7-5-12(6-8-13)18(27)24-23-17(26)11-28-19-22-14-3-1-2-4-15(14)29-19/h1-8H,9,11H2,(H,21,25)(H,23,26)(H,24,27)