S-[1-(butylamino)-3-methyl-2-[(3-methylbutylcarbamoylamino)-(4-phenylphenyl)methyl]-1-oxidanylidene-4-phenyl-butan-2-yl] ethanethioate

Systemtic Name: S-[1-(butylamino)-3-methyl-2-[(3-methylbutylcarbamoylamino)-(4-phenylphenyl)methyl]-1-oxidanylidene-4-phenyl-butan-2-yl] ethanethioate Openeye Name: S-[1-(butylcarbamoyl)-1-[(isopentylcarbamoylamino)-(4-phenylphenyl)methyl]-2-methyl-3-phenyl-propyl] ethanethioate CAS Name: ethanethioic acid S-[1-(butylamino)-3-methyl-2-[[[(3-methylbutylamino)-oxomethyl]amino]-(4-phenylphenyl)methyl]-1-oxo-4-phenylbutan-2-yl] ester IUPAC Name: S-[1-(butylamino)-3-methyl-2-[(3-methylbutylcarbamoylamino)-(4-phenylphenyl)methyl]-1-oxo-4-phenylbutan-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-(butylcarbamoyl)-1-[(isoamylcarbamoylamino)-(4-phenylphenyl)methyl]-2-methyl-3-phenyl-propyl] ester Formula: C36H47N3O3S MolecularWeight: 601.84168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C(C)CC1=CC=CC=C1)(C(C2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)NCCC(C)C)SC(=O)C

Isomeric SMILES

CCCCNC(=O)C(C(C)CC1=CC=CC=C1)(C(C2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)NCCC(C)C)SC(=O)C

InChI

InChI=1S/C36H47N3O3S/c1-6-7-23-37-34(41)36(43-28(5)40,27(4)25-29-14-10-8-11-15-29)33(39-35(42)38-24-22-26(2)3)32-20-18-31(19-21-32)30-16-12-9-13-17-30/h8-21,26-27,33H,6-7,22-25H2,1-5H3,(H,37,41)(H2,38,39,42)