(phenylmethyl) N-[4-methyl-1-[(1-methylsulfanyl-2-oxidanylidene-heptan-3-yl)amino]-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[4-methyl-1-[(1-methylsulfanyl-2-oxidanylidene-heptan-3-yl)amino]-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: benzyl N-[3-methyl-1-[1-(2-methylsulfanylacetyl)pentylcarbamoyl]butyl]carbamate CAS Name: N-[4-methyl-1-[[1-(methylthio)-2-oxoheptan-3-yl]amino]-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[4-methyl-1-[(1-methylsulfanyl-2-oxoheptan-3-yl)amino]-1-oxopentan-2-yl]carbamate Traditional Name: N-[3-methyl-1-[1-[2-(methylthio)acetyl]pentylcarbamoyl]butyl]carbamic acid benzyl ester Formula: C22H34N2O4S MolecularWeight: 422.58136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)CSC)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCC(C(=O)CSC)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C22H34N2O4S/c1-5-6-12-18(20(25)15-29-4)23-21(26)19(13-16(2)3)24-22(27)28-14-17-10-8-7-9-11-17/h7-11,16,18-19H,5-6,12-15H2,1-4H3,(H,23,26)(H,24,27)