2-(3-methylbutanoylcarbamothioylamino)-N-prop-2-enyl-benzamide

Systemtic Name: 2-(3-methylbutanoylcarbamothioylamino)-N-prop-2-enyl-benzamide Openeye Name: N-allyl-2-(3-methylbutanoylcarbamothioylamino)benzamide CAS Name: 2-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]-N-prop-2-enylbenzamide IUPAC Name: 2-(3-methylbutanoylcarbamothioylamino)-N-prop-2-enylbenzamide Traditional Name: N-allyl-2-(isovalerylthiocarbamoylamino)benzamide Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC=CC=C1C(=O)NCC=C

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC=CC=C1C(=O)NCC=C

InChI

InChI=1S/C16H21N3O2S/c1-4-9-17-15(21)12-7-5-6-8-13(12)18-16(22)19-14(20)10-11(2)3/h4-8,11H,1,9-10H2,2-3H3,(H,17,21)(H2,18,19,20,22)