N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-4-ethoxy-benzamide Openeye Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]-4-ethoxy-benzamide CAS Name: N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]-4-ethoxybenzamide Traditional Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]-4-ethoxy-benzamide Formula: C22H18ClN5O2S MolecularWeight: 451.92862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2Cl)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H18ClN5O2S/c1-2-30-16-10-8-14(9-11-16)21(29)25-22(31)24-18-13-20-19(12-17(18)23)26-28(27-20)15-6-4-3-5-7-15/h3-13H,2H2,1H3,(H2,24,25,29,31)