N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-3-(2-methylimidazol-1-yl)propanamide

Systemtic Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-3-(2-methylimidazol-1-yl)propanamide Openeye Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-3-(2-methylimidazol-1-yl)propanamide CAS Name: N-[2-(1-benzotriazolylmethylthio)-1,3-benzothiazol-6-yl]-3-(2-methyl-1-imidazolyl)propanamide IUPAC Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-3-(2-methylimidazol-1-yl)propanamide Traditional Name: N-[2-(benzotriazol-1-ylmethylthio)-1,3-benzothiazol-6-yl]-3-(2-methylimidazol-1-yl)propionamide Formula: C21H19N7OS2 MolecularWeight: 449.55186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCN4C5=CC=CC=C5N=N4

Isomeric SMILES

CC1=NC=CN1CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H19N7OS2/c1-14-22-9-11-27(14)10-8-20(29)23-15-6-7-17-19(12-15)31-21(24-17)30-13-28-18-5-3-2-4-16(18)25-26-28/h2-7,9,11-12H,8,10,13H2,1H3,(H,23,29)