2-(3-cyclohexylpropanoylcarbamothioylamino)-N-(furan-2-ylmethyl)benzamide

Systemtic Name: 2-(3-cyclohexylpropanoylcarbamothioylamino)-N-(furan-2-ylmethyl)benzamide Openeye Name: 2-(3-cyclohexylpropanoylcarbamothioylamino)-N-(2-furylmethyl)benzamide CAS Name: 2-[[[(3-cyclohexyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-N-(2-furanylmethyl)benzamide IUPAC Name: 2-(3-cyclohexylpropanoylcarbamothioylamino)-N-(furan-2-ylmethyl)benzamide Traditional Name: 2-(3-cyclohexylpropanoylthiocarbamoylamino)-N-(2-furfuryl)benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3=CC=CO3

Isomeric SMILES

C1CCC(CC1)CCC(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3=CC=CO3

InChI

InChI=1S/C22H27N3O3S/c26-20(13-12-16-7-2-1-3-8-16)25-22(29)24-19-11-5-4-10-18(19)21(27)23-15-17-9-6-14-28-17/h4-6,9-11,14,16H,1-3,7-8,12-13,15H2,(H,23,27)(H2,24,25,26,29)