N-[4-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]cyclohexanecarboxamide

Systemtic Name: N-[4-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]cyclohexanecarboxamide Openeye Name: N-[4-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanylphenyl]cyclohexanecarboxamide CAS Name: N-[4-[[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]phenyl]cyclohexanecarboxamide IUPAC Name: N-[4-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide Traditional Name: N-[4-[[2-keto-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl]thio]phenyl]cyclohexanecarboxamide Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=CC=C(C=C3)NC(=O)C4CCCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=CC=C(C=C3)NC(=O)C4CCCCC4

InChI

InChI=1S/C23H25N3O3S2/c1-29-17-9-12-19-20(13-17)31-23(25-19)26-21(27)14-30-18-10-7-16(8-11-18)24-22(28)15-5-3-2-4-6-15/h7-13,15H,2-6,14H2,1H3,(H,24,28)(H,25,26,27)