N-[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[5-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[5-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitro-benzamide Formula: C19H14N6O4S3 MolecularWeight: 486.54726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NN=C(S2)SCC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NN=C(S2)SCC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H14N6O4S3/c1-10-11(5-4-7-13(10)25(28)29)16(27)22-18-23-24-19(32-18)30-9-15(26)21-17-20-12-6-2-3-8-14(12)31-17/h2-8H,9H2,1H3,(H,20,21,26)(H,22,23,27)