N-butyl-3-[(4-methylphenyl)sulfonylcarbamothioylamino]benzamide

Systemtic Name: N-butyl-3-[(4-methylphenyl)sulfonylcarbamothioylamino]benzamide Openeye Name: N-butyl-3-(p-tolylsulfonylcarbamothioylamino)benzamide CAS Name: N-butyl-3-[[[(4-methylphenyl)sulfonylamino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butyl-3-[(4-methylphenyl)sulfonylcarbamothioylamino]benzamide Traditional Name: N-butyl-3-(tosylthiocarbamoylamino)benzamide Formula: C19H23N3O3S2 MolecularWeight: 405.53422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=CC=C1)NC(=S)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCNC(=O)C1=CC(=CC=C1)NC(=S)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H23N3O3S2/c1-3-4-12-20-18(23)15-6-5-7-16(13-15)21-19(26)22-27(24,25)17-10-8-14(2)9-11-17/h5-11,13H,3-4,12H2,1-2H3,(H,20,23)(H2,21,22,26)