S-[3-(methylcarbamoyl)-4-(phenethylcarbamoylamino)-4-phenyl-butyl] ethanethioate

Systemtic Name: S-[3-(methylcarbamoyl)-4-(phenethylcarbamoylamino)-4-phenyl-butyl] ethanethioate Openeye Name: S-[3-(methylcarbamoyl)-4-(phenethylcarbamoylamino)-4-phenyl-butyl] ethanethioate CAS Name: ethanethioic acid S-[3-(methylcarbamoyl)-4-[[oxo-(phenethylamino)methyl]amino]-4-phenylbutyl] ester IUPAC Name: S-[3-(methylcarbamoyl)-4-(phenethylcarbamoylamino)-4-phenylbutyl] ethanethioate Traditional Name: ethanethioic acid S-[3-(methylcarbamoyl)-4-(phenethylcarbamoylamino)-4-phenyl-butyl] ester Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(C(C1=CC=CC=C1)NC(=O)NCCC2=CC=CC=C2)C(=O)NC

Isomeric SMILES

CC(=O)SCCC(C(C1=CC=CC=C1)NC(=O)NCCC2=CC=CC=C2)C(=O)NC

InChI

InChI=1S/C23H29N3O3S/c1-17(27)30-16-14-20(22(28)24-2)21(19-11-7-4-8-12-19)26-23(29)25-15-13-18-9-5-3-6-10-18/h3-12,20-21H,13-16H2,1-2H3,(H,24,28)(H2,25,26,29)