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

Systemtic Name: 2-(octanoylcarbamothioylamino)-N-prop-2-enyl-benzamide Openeye Name: N-allyl-2-(octanoylcarbamothioylamino)benzamide CAS Name: 2-[[(1-oxooctylamino)-sulfanylidenemethyl]amino]-N-prop-2-enylbenzamide IUPAC Name: 2-(octanoylcarbamothioylamino)-N-prop-2-enylbenzamide Traditional Name: N-allyl-2-(caprylylthiocarbamoylamino)benzamide Formula: C19H27N3O2S MolecularWeight: 361.50158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O2S/c1-3-5-6-7-8-13-17(23)22-19(25)21-16-12-10-9-11-15(16)18(24)20-14-4-2/h4,9-12H,2-3,5-8,13-14H2,1H3,(H,20,24)(H2,21,22,23,25)