2-acetamido-N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-4-methyl-pent-4-enamide

Systemtic Name: 2-acetamido-N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-4-methyl-pent-4-enamide Openeye Name: 2-acetamido-N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-4-methyl-pent-4-enamide CAS Name: 2-acetamido-N-[2-(1-benzotriazolylmethylthio)-1,3-benzothiazol-6-yl]-4-methyl-4-pentenamide IUPAC Name: 2-acetamido-N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-4-methylpent-4-enamide Traditional Name: 2-acetamido-N-[2-(benzotriazol-1-ylmethylthio)-1,3-benzothiazol-6-yl]-4-methyl-pent-4-enamide Formula: C22H22N6O2S2 MolecularWeight: 466.57908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC(C(=O)NC1=CC2=C(C=C1)N=C(S2)SCN3C4=CC=CC=C4N=N3)NC(=O)C

Isomeric SMILES

CC(=C)CC(C(=O)NC1=CC2=C(C=C1)N=C(S2)SCN3C4=CC=CC=C4N=N3)NC(=O)C

InChI

InChI=1S/C22H22N6O2S2/c1-13(2)10-18(23-14(3)29)21(30)24-15-8-9-17-20(11-15)32-22(25-17)31-12-28-19-7-5-4-6-16(19)26-27-28/h4-9,11,18H,1,10,12H2,2-3H3,(H,23,29)(H,24,30)