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

Systemtic Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-phenoxy-acetamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2S2/c1-2-3-7-14-10-11-16-17(12-14)27-20(21-16)23-19(26)22-18(24)13-25-15-8-5-4-6-9-15/h4-6,8-12H,2-3,7,13H2,1H3,(H2,21,22,23,24,26)