S-[3-(butylcarbamoyl)-4-(3-methylbutylcarbamoylamino)-4-(4-phenylphenyl)butyl] ethanethioate

Systemtic Name: S-[3-(butylcarbamoyl)-4-(3-methylbutylcarbamoylamino)-4-(4-phenylphenyl)butyl] ethanethioate Openeye Name: S-[3-(butylcarbamoyl)-4-(isopentylcarbamoylamino)-4-(4-phenylphenyl)butyl] ethanethioate CAS Name: ethanethioic acid S-[3-[butylamino(oxo)methyl]-4-[[(3-methylbutylamino)-oxomethyl]amino]-4-(4-phenylphenyl)butyl] ester IUPAC Name: S-[3-(butylcarbamoyl)-4-(3-methylbutylcarbamoylamino)-4-(4-phenylphenyl)butyl] ethanethioate Traditional Name: ethanethioic acid S-[3-(butylcarbamoyl)-4-(isoamylcarbamoylamino)-4-(4-phenylphenyl)butyl] ester Formula: C29H41N3O3S MolecularWeight: 511.71914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(CCSC(=O)C)C(C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)NCCC(C)C

Isomeric SMILES

CCCCNC(=O)C(CCSC(=O)C)C(C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)NCCC(C)C

InChI

InChI=1S/C29H41N3O3S/c1-5-6-18-30-28(34)26(17-20-36-22(4)33)27(32-29(35)31-19-16-21(2)3)25-14-12-24(13-15-25)23-10-8-7-9-11-23/h7-15,21,26-27H,5-6,16-20H2,1-4H3,(H,30,34)(H2,31,32,35)