N-butyl-4-(3-methylbutanoylcarbamothioylamino)benzamide

Systemtic Name: N-butyl-4-(3-methylbutanoylcarbamothioylamino)benzamide Openeye Name: N-butyl-4-(3-methylbutanoylcarbamothioylamino)benzamide CAS Name: N-butyl-4-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butyl-4-(3-methylbutanoylcarbamothioylamino)benzamide Traditional Name: N-butyl-4-(isovalerylthiocarbamoylamino)benzamide Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2S/c1-4-5-10-18-16(22)13-6-8-14(9-7-13)19-17(23)20-15(21)11-12(2)3/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,22)(H2,19,20,21,23)