(phenylmethyl) N-[1-[[4-(2-dimethylaminoethylsulfanyl)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-[[4-(2-dimethylaminoethylsulfanyl)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: benzyl N-[1-[[1-benzyl-3-(2-dimethylaminoethylsulfanyl)-2-oxo-propyl]carbamoyl]-3-methyl-butyl]carbamate CAS Name: N-[1-[[4-(2-dimethylaminoethylthio)-3-oxo-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[[4-(2-dimethylaminoethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[1-[[1-benzyl-3-(2-dimethylaminoethylthio)-2-keto-propyl]carbamoyl]-3-methyl-butyl]carbamic acid benzyl ester Formula: C28H39N3O4S MolecularWeight: 513.69196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)CSCCN(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)CSCCN(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C28H39N3O4S/c1-21(2)17-25(30-28(34)35-19-23-13-9-6-10-14-23)27(33)29-24(18-22-11-7-5-8-12-22)26(32)20-36-16-15-31(3)4/h5-14,21,24-25H,15-20H2,1-4H3,(H,29,33)(H,30,34)