N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C26H26ClN5O4S MolecularWeight: 540.03374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2Cl)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2Cl)C4=CC=CC=C4

InChI

InChI=1S/C26H26ClN5O4S/c1-4-34-22-12-16(13-23(35-5-2)24(22)36-6-3)25(33)29-26(37)28-19-15-21-20(14-18(19)27)30-32(31-21)17-10-8-7-9-11-17/h7-15H,4-6H2,1-3H3,(H2,28,29,33,37)