N-aminocarbonyl-2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanamide

Systemtic Name: N-aminocarbonyl-2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanamide Openeye Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-3-methyl-butanamide CAS Name: 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-carbamoyl-3-methylbutanamide IUPAC Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-3-methylbutanamide Traditional Name: 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-carbamoyl-3-methyl-butyramide Formula: C22H22N6O2S3 MolecularWeight: 498.64408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)SC1=NN=C(N1C2=CC=CC=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)SC1=NN=C(N1C2=CC=CC=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N6O2S3/c1-13(2)18(19(29)25-20(23)30)33-21-27-26-17(28(21)14-8-4-3-5-9-14)12-31-22-24-15-10-6-7-11-16(15)32-22/h3-11,13,18H,12H2,1-2H3,(H3,23,25,29,30)