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

Systemtic Name: N-[2-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]cyclohexanecarboxamide Openeye Name: N-[2-[2-(2-nitroanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]cyclohexanecarboxamide CAS Name: N-[2-[[2-(2-nitroanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]cyclohexanecarboxamide IUPAC Name: N-[2-[2-(2-nitroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]cyclohexanecarboxamide Traditional Name: N-[2-[[2-keto-2-(2-nitroanilino)ethyl]thio]-1,3-benzothiazol-6-yl]cyclohexanecarboxamide Formula: C22H22N4O4S2 MolecularWeight: 470.56448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O4S2/c27-20(24-16-8-4-5-9-18(16)26(29)30)13-31-22-25-17-11-10-15(12-19(17)32-22)23-21(28)14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7,13H2,(H,23,28)(H,24,27)