N-[2-[[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]amino]-2-oxidanylidene-ethyl]-3-methyl-butanamide

Systemtic Name: N-[2-[[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]amino]-2-oxidanylidene-ethyl]-3-methyl-butanamide Openeye Name: N-[2-[[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]amino]-2-oxo-ethyl]-3-methyl-butanamide CAS Name: N-[2-[[2-(1-benzotriazolylmethylthio)-1,3-benzothiazol-6-yl]amino]-2-oxoethyl]-3-methylbutanamide IUPAC Name: N-[2-[[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]amino]-2-oxoethyl]-3-methylbutanamide Traditional Name: N-[2-[[2-(benzotriazol-1-ylmethylthio)-1,3-benzothiazol-6-yl]amino]-2-keto-ethyl]-3-methyl-butyramide Formula: C21H22N6O2S2 MolecularWeight: 454.56838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O2S2/c1-13(2)9-19(28)22-11-20(29)23-14-7-8-16-18(10-14)31-21(24-16)30-12-27-17-6-4-3-5-15(17)25-26-27/h3-8,10,13H,9,11-12H2,1-2H3,(H,22,28)(H,23,29)