N-methyl-2-(3-methylbutylcarbamoylamino)-N-(1-oxidanyl-3-phenylsulfanyl-propan-2-yl)-3-phenyl-propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(CC1=CC=CC=C1)C(=O)N(C)C(CO)CSC2=CC=CC=C2

Isomeric SMILES

CC(C)CCNC(=O)NC(CC1=CC=CC=C1)C(=O)N(C)C(CO)CSC2=CC=CC=C2

InChI

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