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

Systemtic Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(4-methylphenoxy)ethanamide Openeye Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(4-methylphenoxy)acetamide CAS Name: N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-(4-methylphenoxy)acetamide IUPAC Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(4-methylphenoxy)acetamide Traditional Name: N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-(4-methylphenoxy)acetamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S2/c1-3-4-5-15-8-11-17-18(12-15)28-21(22-17)24-20(27)23-19(25)13-26-16-9-6-14(2)7-10-16/h6-12H,3-5,13H2,1-2H3,(H2,22,23,24,25,27)