N-methyl-2-[[3-methylbutyl-(1-oxidanyl-3-phenylsulfanyl-propan-2-yl)carbamoyl]amino]-3-phenyl-propanamide

Systemtic Name: N-methyl-2-[[3-methylbutyl-(1-oxidanyl-3-phenylsulfanyl-propan-2-yl)carbamoyl]amino]-3-phenyl-propanamide Openeye Name: 2-[[[1-(hydroxymethyl)-2-phenylsulfanyl-ethyl]-isopentyl-carbamoyl]amino]-N-methyl-3-phenyl-propanamide CAS Name: 2-[[[[1-hydroxy-3-(phenylthio)propan-2-yl]-(3-methylbutyl)amino]-oxomethyl]amino]-N-methyl-3-phenylpropanamide IUPAC Name: 2-[[(1-hydroxy-3-phenylsulfanylpropan-2-yl)-(3-methylbutyl)carbamoyl]amino]-N-methyl-3-phenylpropanamide Traditional Name: 2-[[isoamyl-[1-methylol-2-(phenylthio)ethyl]carbamoyl]amino]-N-methyl-3-phenyl-propionamide Formula: C25H35N3O3S MolecularWeight: 457.6287

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C(CO)CSC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC

Isomeric SMILES

CC(C)CCN(C(CO)CSC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC

InChI

InChI=1S/C25H35N3O3S/c1-19(2)14-15-28(21(17-29)18-32-22-12-8-5-9-13-22)25(31)27-23(24(30)26-3)16-20-10-6-4-7-11-20/h4-13,19,21,23,29H,14-18H2,1-3H3,(H,26,30)(H,27,31)