S-[1-[[4-methyl-1-oxidanylidene-1-(phenethylamino)pentan-2-yl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl] ethanethioate

Systemtic Name: S-[1-[[4-methyl-1-oxidanylidene-1-(phenethylamino)pentan-2-yl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl] ethanethioate Openeye Name: S-[1-[[3-methyl-1-(phenethylcarbamoyl)butyl]carbamoyl]-3-phenyl-propyl] ethanethioate CAS Name: ethanethioic acid S-[1-[[4-methyl-1-oxo-1-(phenethylamino)pentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] ester IUPAC Name: S-[1-[[4-methyl-1-oxo-1-(phenethylamino)pentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-[[3-methyl-1-(phenethylcarbamoyl)butyl]carbamoyl]-3-phenyl-propyl] ester Formula: C26H34N2O3S MolecularWeight: 454.62476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCC1=CC=CC=C1)NC(=O)C(CCC2=CC=CC=C2)SC(=O)C

Isomeric SMILES

CC(C)CC(C(=O)NCCC1=CC=CC=C1)NC(=O)C(CCC2=CC=CC=C2)SC(=O)C

InChI

InChI=1S/C26H34N2O3S/c1-19(2)18-23(25(30)27-17-16-22-12-8-5-9-13-22)28-26(31)24(32-20(3)29)15-14-21-10-6-4-7-11-21/h4-13,19,23-24H,14-18H2,1-3H3,(H,27,30)(H,28,31)