2-(3-methylbutanoylcarbamothioylamino)-N-propyl-benzamide

Systemtic Name: 2-(3-methylbutanoylcarbamothioylamino)-N-propyl-benzamide Openeye Name: 2-(3-methylbutanoylcarbamothioylamino)-N-propyl-benzamide CAS Name: 2-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]-N-propylbenzamide IUPAC Name: 2-(3-methylbutanoylcarbamothioylamino)-N-propylbenzamide Traditional Name: 2-(isovalerylthiocarbamoylamino)-N-propyl-benzamide Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)CC(C)C

Isomeric SMILES

CCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)CC(C)C

InChI

InChI=1S/C16H23N3O2S/c1-4-9-17-15(21)12-7-5-6-8-13(12)18-16(22)19-14(20)10-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,17,21)(H2,18,19,20,22)