N-[2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-nitro-benzamide

Systemtic Name: N-[2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-nitro-benzamide Openeye Name: N-[2-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-nitro-benzamide CAS Name: N-[2-[[2-(cyclohexylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-4-nitrobenzamide IUPAC Name: N-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-nitrobenzamide Traditional Name: N-[2-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-4-nitro-benzamide Formula: C22H22N4O4S2 MolecularWeight: 470.56448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O4S2/c27-20(23-15-4-2-1-3-5-15)13-31-22-25-18-11-8-16(12-19(18)32-22)24-21(28)14-6-9-17(10-7-14)26(29)30/h6-12,15H,1-5,13H2,(H,23,27)(H,24,28)