2-(pentanoylcarbamothioylamino)-N-prop-2-enyl-benzamide

Systemtic Name: 2-(pentanoylcarbamothioylamino)-N-prop-2-enyl-benzamide Openeye Name: N-allyl-2-(pentanoylcarbamothioylamino)benzamide CAS Name: 2-[[(1-oxopentylamino)-sulfanylidenemethyl]amino]-N-prop-2-enylbenzamide IUPAC Name: 2-(pentanoylcarbamothioylamino)-N-prop-2-enylbenzamide Traditional Name: N-allyl-2-(valerylthiocarbamoylamino)benzamide Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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