N-(cyclohexylmethyl)-2-[2-[(3-methylbutanoylamino)carbamoyl]phenyl]sulfanyl-ethanamide

Systemtic Name: N-(cyclohexylmethyl)-2-[2-[(3-methylbutanoylamino)carbamoyl]phenyl]sulfanyl-ethanamide Openeye Name: N-(cyclohexylmethyl)-2-[2-[(3-methylbutanoylamino)carbamoyl]phenyl]sulfanyl-acetamide CAS Name: N-(cyclohexylmethyl)-2-[[2-[[(3-methyl-1-oxobutyl)hydrazo]-oxomethyl]phenyl]thio]acetamide IUPAC Name: N-(cyclohexylmethyl)-2-[2-[(3-methylbutanoylamino)carbamoyl]phenyl]sulfanylacetamide Traditional Name: N-(cyclohexylmethyl)-2-[[2-[(isovalerylamino)carbamoyl]phenyl]thio]acetamide Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NNC(=O)C1=CC=CC=C1SCC(=O)NCC2CCCCC2

Isomeric SMILES

CC(C)CC(=O)NNC(=O)C1=CC=CC=C1SCC(=O)NCC2CCCCC2

InChI

InChI=1S/C21H31N3O3S/c1-15(2)12-19(25)23-24-21(27)17-10-6-7-11-18(17)28-14-20(26)22-13-16-8-4-3-5-9-16/h6-7,10-11,15-16H,3-5,8-9,12-14H2,1-2H3,(H,22,26)(H,23,25)(H,24,27)