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

Systemtic Name: 4-tert-butyl-N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C24H22ClN5OS MolecularWeight: 463.98238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22ClN5OS/c1-24(2,3)16-11-9-15(10-12-16)22(31)27-23(32)26-19-14-21-20(13-18(19)25)28-30(29-21)17-7-5-4-6-8-17/h4-14H,1-3H3,(H2,26,27,31,32)