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

Systemtic Name: 4-butoxy-N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C24H22ClN5O2S MolecularWeight: 479.98178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2Cl)C4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2Cl)C4=CC=CC=C4

InChI

InChI=1S/C24H22ClN5O2S/c1-2-3-13-32-18-11-9-16(10-12-18)23(31)27-24(33)26-20-15-22-21(14-19(20)25)28-30(29-22)17-7-5-4-6-8-17/h4-12,14-15H,2-3,13H2,1H3,(H2,26,27,31,33)