N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3,5-diethoxy-benzamide

Systemtic Name: N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3,5-diethoxy-benzamide Openeye Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3,5-diethoxy-benzamide CAS Name: N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-3,5-diethoxybenzamide IUPAC Name: N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]-3,5-diethoxybenzamide Traditional Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]-3,5-diethoxy-benzamide Formula: C24H22ClN5O3S MolecularWeight: 495.98118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22ClN5O3S/c1-3-32-17-10-15(11-18(12-17)33-4-2)23(31)27-24(34)26-20-14-22-21(13-19(20)25)28-30(29-22)16-8-6-5-7-9-16/h5-14H,3-4H2,1-2H3,(H2,26,27,31,34)