N,N'-bis[3-methyl-1-oxidanylidene-3-(phenylmethylsulfanyl)-1-(2-piperidin-1-ylethylamino)butan-2-yl]ethanediamide

Systemtic Name: N,N'-bis[3-methyl-1-oxidanylidene-3-(phenylmethylsulfanyl)-1-(2-piperidin-1-ylethylamino)butan-2-yl]ethanediamide Openeye Name: N,N'-bis[2-benzylsulfanyl-2-methyl-1-[2-(1-piperidyl)ethylcarbamoyl]propyl]oxamide CAS Name: N,N'-bis[3-methyl-1-oxo-3-(phenylmethylthio)-1-[2-(1-piperidinyl)ethylamino]butan-2-yl]oxamide IUPAC Name: N,N'-bis[3-benzylsulfanyl-3-methyl-1-oxo-1-(2-piperidin-1-ylethylamino)butan-2-yl]oxamide Traditional Name: N,N'-bis[2-(benzylthio)-2-methyl-1-(2-piperidinoethylcarbamoyl)propyl]oxamide Formula: C40H60N6O4S2 MolecularWeight: 753.0722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)NCCN1CCCCC1)NC(=O)C(=O)NC(C(=O)NCCN2CCCCC2)C(C)(C)SCC3=CC=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C(C(=O)NCCN1CCCCC1)NC(=O)C(=O)NC(C(=O)NCCN2CCCCC2)C(C)(C)SCC3=CC=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C40H60N6O4S2/c1-39(2,51-29-31-17-9-5-10-18-31)33(35(47)41-21-27-45-23-13-7-14-24-45)43-37(49)38(50)44-34(36(48)42-22-28-46-25-15-8-16-26-46)40(3,4)52-30-32-19-11-6-12-20-32/h5-6,9-12,17-20,33-34H,7-8,13-16,21-30H2,1-4H3,(H,41,47)(H,42,48)(H,43,49)(H,44,50)