(phenylmethyl) N-[4-methylsulfanyl-1-oxidanylidene-1-[(2-oxidanyl-4-phenyl-butyl)amino]butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[4-methylsulfanyl-1-oxidanylidene-1-[(2-oxidanyl-4-phenyl-butyl)amino]butan-2-yl]carbamate Openeye Name: benzyl N-[1-[(2-hydroxy-4-phenyl-butyl)carbamoyl]-3-methylsulfanyl-propyl]carbamate CAS Name: N-[1-[(2-hydroxy-4-phenylbutyl)amino]-4-(methylthio)-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[(2-hydroxy-4-phenylbutyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[1-[(2-hydroxy-4-phenyl-butyl)carbamoyl]-3-(methylthio)propyl]carbamic acid benzyl ester Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC(CCC1=CC=CC=C1)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)NCC(CCC1=CC=CC=C1)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H30N2O4S/c1-30-15-14-21(25-23(28)29-17-19-10-6-3-7-11-19)22(27)24-16-20(26)13-12-18-8-4-2-5-9-18/h2-11,20-21,26H,12-17H2,1H3,(H,24,27)(H,25,28)