N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-[2-oxidanylidene-2-(pyridin-2-ylamino)ethyl]sulfanyl-ethanamide

Systemtic Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-[2-oxidanylidene-2-(pyridin-2-ylamino)ethyl]sulfanyl-ethanamide Openeye Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-[2-oxo-2-(2-pyridylamino)ethyl]sulfanyl-acetamide CAS Name: N-[2-(1-benzotriazolylmethylthio)-1,3-benzothiazol-6-yl]-2-[[2-oxo-2-(2-pyridinylamino)ethyl]thio]acetamide IUPAC Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetamide Traditional Name: N-[2-(benzotriazol-1-ylmethylthio)-1,3-benzothiazol-6-yl]-2-[[2-keto-2-(2-pyridylamino)ethyl]thio]acetamide Formula: C23H19N7O2S3 MolecularWeight: 521.63766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CSC3=NC4=C(S3)C=C(C=C4)NC(=O)CSCC(=O)NC5=CC=CC=N5

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CSC3=NC4=C(S3)C=C(C=C4)NC(=O)CSCC(=O)NC5=CC=CC=N5

InChI

InChI=1S/C23H19N7O2S3/c31-21(12-33-13-22(32)27-20-7-3-4-10-24-20)25-15-8-9-17-19(11-15)35-23(26-17)34-14-30-18-6-2-1-5-16(18)28-29-30/h1-11H,12-14H2,(H,25,31)(H,24,27,32)