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

Systemtic Name: N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]-4-isopropyl-benzamide Formula: C23H20ClN5OS MolecularWeight: 449.9558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20ClN5OS/c1-14(2)15-8-10-16(11-9-15)22(30)26-23(31)25-19-13-21-20(12-18(19)24)27-29(28-21)17-6-4-3-5-7-17/h3-14H,1-2H3,(H2,25,26,30,31)