N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(4-cyclohexylphenoxy)ethanamide

Systemtic Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(4-cyclohexylphenoxy)ethanamide Openeye Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(4-cyclohexylphenoxy)acetamide CAS Name: N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-(4-cyclohexylphenoxy)acetamide IUPAC Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(4-cyclohexylphenoxy)acetamide Traditional Name: N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-(4-cyclohexylphenoxy)acetamide Formula: C26H31N3O2S2 MolecularWeight: 481.67324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)COC3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)COC3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C26H31N3O2S2/c1-2-3-7-18-10-15-22-23(16-18)33-26(27-22)29-25(32)28-24(30)17-31-21-13-11-20(12-14-21)19-8-5-4-6-9-19/h10-16,19H,2-9,17H2,1H3,(H2,27,28,29,30,32)