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

Systemtic Name: N-[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]cyclohexanecarboxamide Openeye Name: N-[2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]cyclohexanecarboxamide CAS Name: N-[2-[[2-(4-methylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]cyclohexanecarboxamide IUPAC Name: N-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]cyclohexanecarboxamide Traditional Name: N-[2-[[2-keto-2-(p-toluidino)ethyl]thio]-1,3-benzothiazol-6-yl]cyclohexanecarboxamide Formula: C23H25N3O2S2 MolecularWeight: 439.5935

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4CCCCC4

InChI

InChI=1S/C23H25N3O2S2/c1-15-7-9-17(10-8-15)24-21(27)14-29-23-26-19-12-11-18(13-20(19)30-23)25-22(28)16-5-3-2-4-6-16/h7-13,16H,2-6,14H2,1H3,(H,24,27)(H,25,28)