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

Systemtic Name: N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-4-ethyl-benzamide Openeye Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]-4-ethyl-benzamide CAS Name: N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-4-ethylbenzamide IUPAC Name: N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]-4-ethylbenzamide Traditional Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]-4-ethyl-benzamide Formula: C22H18ClN5OS MolecularWeight: 435.92922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2Cl)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H18ClN5OS/c1-2-14-8-10-15(11-9-14)21(29)25-22(30)24-18-13-20-19(12-17(18)23)26-28(27-20)16-6-4-3-5-7-16/h3-13H,2H2,1H3,(H2,24,25,29,30)