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

Systemtic Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-(4-nitrophenoxy)acetamide Formula: C20H20N4O4S2 MolecularWeight: 444.5272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4S2/c1-2-3-4-13-5-10-16-17(11-13)30-20(21-16)23-19(29)22-18(25)12-28-15-8-6-14(7-9-15)24(26)27/h5-11H,2-4,12H2,1H3,(H2,21,22,23,25,29)