N-[2-(diphenylmethyl)sulfanyl-1,3-benzothiazol-6-yl]cyclohexanecarboxamide

Systemtic Name: N-[2-(diphenylmethyl)sulfanyl-1,3-benzothiazol-6-yl]cyclohexanecarboxamide Openeye Name: N-(2-benzhydrylsulfanyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide CAS Name: N-[2-[(diphenylmethyl)thio]-1,3-benzothiazol-6-yl]cyclohexanecarboxamide IUPAC Name: N-(2-benzhydrylsulfanyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide Traditional Name: N-[2-(benzhydrylthio)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide Formula: C27H26N2OS2 MolecularWeight: 458.63814

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N2OS2/c30-26(21-14-8-3-9-15-21)28-22-16-17-23-24(18-22)31-27(29-23)32-25(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-2,4-7,10-13,16-18,21,25H,3,8-9,14-15H2,(H,28,30)