3-(octanoylcarbamothioylamino)-N-propyl-benzamide

Systemtic Name: 3-(octanoylcarbamothioylamino)-N-propyl-benzamide Openeye Name: 3-(octanoylcarbamothioylamino)-N-propyl-benzamide CAS Name: 3-[[(1-oxooctylamino)-sulfanylidenemethyl]amino]-N-propylbenzamide IUPAC Name: 3-(octanoylcarbamothioylamino)-N-propylbenzamide Traditional Name: 3-(caprylylthiocarbamoylamino)-N-propyl-benzamide Formula: C19H29N3O2S MolecularWeight: 363.51746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NCCC

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NCCC

InChI

InChI=1S/C19H29N3O2S/c1-3-5-6-7-8-12-17(23)22-19(25)21-16-11-9-10-15(14-16)18(24)20-13-4-2/h9-11,14H,3-8,12-13H2,1-2H3,(H,20,24)(H2,21,22,23,25)