4-methyl-N-[[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoylamino]carbamothioyl]benzamide

Systemtic Name: 4-methyl-N-[[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoylamino]carbamothioyl]benzamide Openeye Name: 4-methyl-N-[[[2-(5-phenyltetrazol-2-yl)acetyl]amino]carbamothioyl]benzamide CAS Name: 4-methyl-N-[[[1-oxo-2-(5-phenyl-2-tetrazolyl)ethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-methyl-N-[[[2-(5-phenyltetrazol-2-yl)acetyl]amino]carbamothioyl]benzamide Traditional Name: 4-methyl-N-[[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiocarbamoyl]benzamide Formula: C18H17N7O2S MolecularWeight: 395.43828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CN2N=C(N=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CN2N=C(N=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H17N7O2S/c1-12-7-9-14(10-8-12)17(27)19-18(28)22-20-15(26)11-25-23-16(21-24-25)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,26)(H2,19,22,27,28)