N-[[2-(4-acetamidophenyl)benzotriazol-5-yl]carbamothioyl]-3-ethoxy-benzamide

Systemtic Name: N-[[2-(4-acetamidophenyl)benzotriazol-5-yl]carbamothioyl]-3-ethoxy-benzamide Openeye Name: N-[[2-(4-acetamidophenyl)benzotriazol-5-yl]carbamothioyl]-3-ethoxy-benzamide CAS Name: N-[[[2-(4-acetamidophenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-ethoxybenzamide IUPAC Name: N-[[2-(4-acetamidophenyl)benzotriazol-5-yl]carbamothioyl]-3-ethoxybenzamide Traditional Name: N-[[2-(4-acetamidophenyl)benzotriazol-5-yl]thiocarbamoyl]-3-ethoxy-benzamide Formula: C24H22N6O3S MolecularWeight: 474.53488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)NC(=O)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)NC(=O)C

InChI

InChI=1S/C24H22N6O3S/c1-3-33-20-6-4-5-16(13-20)23(32)27-24(34)26-18-9-12-21-22(14-18)29-30(28-21)19-10-7-17(8-11-19)25-15(2)31/h4-14H,3H2,1-2H3,(H,25,31)(H2,26,27,32,34)