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

Systemtic Name: 2-(3-cyclohexylpropanoylcarbamothioylamino)-N-(oxolan-2-ylmethyl)benzamide Openeye Name: 2-(3-cyclohexylpropanoylcarbamothioylamino)-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 2-[[[(3-cyclohexyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-N-(2-oxolanylmethyl)benzamide IUPAC Name: 2-(3-cyclohexylpropanoylcarbamothioylamino)-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 2-(3-cyclohexylpropanoylthiocarbamoylamino)-N-(tetrahydrofurfuryl)benzamide Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3CCCO3

Isomeric SMILES

C1CCC(CC1)CCC(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3CCCO3

InChI

InChI=1S/C22H31N3O3S/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/h4-5,10-11,16-17H,1-3,6-9,12-15H2,(H,23,27)(H2,24,25,26,29)