N-butyl-4-(2-methylpropanoylcarbamothioylamino)benzamide

Systemtic Name: N-butyl-4-(2-methylpropanoylcarbamothioylamino)benzamide Openeye Name: N-butyl-4-(2-methylpropanoylcarbamothioylamino)benzamide CAS Name: N-butyl-4-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butyl-4-(2-methylpropanoylcarbamothioylamino)benzamide Traditional Name: N-butyl-4-(isobutyrylthiocarbamoylamino)benzamide Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2S/c1-4-5-10-17-15(21)12-6-8-13(9-7-12)18-16(22)19-14(20)11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,17,21)(H2,18,19,20,22)