N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-4-methoxy-cyclohexane-1-carboxamide

Systemtic Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-4-methoxy-cyclohexane-1-carboxamide Openeye Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-4-methoxy-cyclohexanecarboxamide CAS Name: N-[2-(1-benzotriazolylmethylthio)-1,3-benzothiazol-6-yl]-4-methoxy-1-cyclohexanecarboxamide IUPAC Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-4-methoxycyclohexane-1-carboxamide Traditional Name: N-[2-(benzotriazol-1-ylmethylthio)-1,3-benzothiazol-6-yl]-4-methoxy-cyclohexanecarboxamide Formula: C22H23N5O2S2 MolecularWeight: 453.58032

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCC(CC1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCN4C5=CC=CC=C5N=N4

Isomeric SMILES

COC1CCC(CC1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H23N5O2S2/c1-29-16-9-6-14(7-10-16)21(28)23-15-8-11-18-20(12-15)31-22(24-18)30-13-27-19-5-3-2-4-17(19)25-26-27/h2-5,8,11-12,14,16H,6-7,9-10,13H2,1H3,(H,23,28)