2-chloranyl-N-[2-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 2-chloranyl-N-[2-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 2-chloro-N-[2-[2-(3-nitroanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 2-chloro-N-[2-[[2-(3-nitroanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 2-chloro-N-[2-[2-(3-nitroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 2-chloro-N-[2-[[2-keto-2-(3-nitroanilino)ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C22H15ClN4O4S2 MolecularWeight: 498.9619

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H15ClN4O4S2/c23-17-7-2-1-6-16(17)21(29)25-14-8-9-18-19(11-14)33-22(26-18)32-12-20(28)24-13-4-3-5-15(10-13)27(30)31/h1-11H,12H2,(H,24,28)(H,25,29)