2-(octanoylcarbamothioylamino)-N-propan-2-yl-benzamide

Systemtic Name: 2-(octanoylcarbamothioylamino)-N-propan-2-yl-benzamide Openeye Name: N-isopropyl-2-(octanoylcarbamothioylamino)benzamide CAS Name: 2-[[(1-oxooctylamino)-sulfanylidenemethyl]amino]-N-propan-2-ylbenzamide IUPAC Name: 2-(octanoylcarbamothioylamino)-N-propan-2-ylbenzamide Traditional Name: 2-(caprylylthiocarbamoylamino)-N-isopropyl-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=C1C(=O)NC(C)C

Isomeric SMILES

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

InChI

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