2-azanyl-N-[4-(furan-2-ylmethylsulfanyl)-3-oxidanylidene-1-phenyl-butan-2-yl]-4-methyl-pentanamide hydrochloride

Systemtic Name: 2-azanyl-N-[4-(furan-2-ylmethylsulfanyl)-3-oxidanylidene-1-phenyl-butan-2-yl]-4-methyl-pentanamide hydrochloride Openeye Name: 2-amino-N-[1-benzyl-3-(2-furylmethylsulfanyl)-2-oxo-propyl]-4-methyl-pentanamide hydrochloride CAS Name: 2-amino-N-[4-(2-furanylmethylthio)-3-oxo-1-phenylbutan-2-yl]-4-methylpentanamide hydrochloride IUPAC Name: 2-amino-N-[4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]-4-methylpentanamide hydrochloride Traditional Name: 2-amino-N-[1-benzyl-3-(2-furfurylthio)-2-keto-propyl]-4-methyl-valeramide hydrochloride Formula: C21H29ClN2O3S MolecularWeight: 424.98456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)CSCC2=CC=CO2)N.Cl

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)CSCC2=CC=CO2)N.Cl

InChI

InChI=1S/C21H28N2O3S.ClH/c1-15(2)11-18(22)21(25)23-19(12-16-7-4-3-5-8-16)20(24)14-27-13-17-9-6-10-26-17;/h3-10,15,18-19H,11-14,22H2,1-2H3,(H,23,25);1H