3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(1,2,4-triazol-4-ylcarbamothioyl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(1,2,4-triazol-4-ylcarbamothioyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(1,2,4-triazol-4-ylcarbamothioyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[sulfanylidene-(1,2,4-triazol-4-ylamino)methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(1,2,4-triazol-4-ylcarbamothioyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(1,2,4-triazol-4-ylthiocarbamoyl)benzamide Formula: C16H19ClN6O3S2 MolecularWeight: 442.94346

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC(=S)NN3C=NN=C3)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC(=S)NN3C=NN=C3)Cl

InChI

InChI=1S/C16H19ClN6O3S2/c17-13-6-5-12(15(24)20-16(27)21-22-10-18-19-11-22)9-14(13)28(25,26)23-7-3-1-2-4-8-23/h5-6,9-11H,1-4,7-8H2,(H2,20,21,24,27)