N,N-diethyl-3-(3-methylbutanoylcarbamothioylamino)benzamide

Systemtic Name: N,N-diethyl-3-(3-methylbutanoylcarbamothioylamino)benzamide Openeye Name: N,N-diethyl-3-(3-methylbutanoylcarbamothioylamino)benzamide CAS Name: N,N-diethyl-3-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N,N-diethyl-3-(3-methylbutanoylcarbamothioylamino)benzamide Traditional Name: N,N-diethyl-3-(isovalerylthiocarbamoylamino)benzamide Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2S/c1-5-20(6-2)16(22)13-8-7-9-14(11-13)18-17(23)19-15(21)10-12(3)4/h7-9,11-12H,5-6,10H2,1-4H3,(H2,18,19,21,23)