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

Systemtic Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-phenylacetamide Traditional Name: N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-phenyl-acetamide Formula: C20H21N3OS2 MolecularWeight: 383.53024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H21N3OS2/c1-2-3-7-15-10-11-16-17(12-15)26-20(21-16)23-19(25)22-18(24)13-14-8-5-4-6-9-14/h4-6,8-12H,2-3,7,13H2,1H3,(H2,21,22,23,24,25)