S-[3-(methylcarbamoyl)-4-(2-methylpropylcarbamoylamino)-4-phenyl-butyl] ethanethioate

Systemtic Name: S-[3-(methylcarbamoyl)-4-(2-methylpropylcarbamoylamino)-4-phenyl-butyl] ethanethioate Openeye Name: S-[3-[(isobutylcarbamoylamino)-phenyl-methyl]-4-(methylamino)-4-oxo-butyl] ethanethioate CAS Name: ethanethioic acid S-[3-(methylcarbamoyl)-4-[[(2-methylpropylamino)-oxomethyl]amino]-4-phenylbutyl] ester IUPAC Name: S-[3-(methylcarbamoyl)-4-(2-methylpropylcarbamoylamino)-4-phenylbutyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[(isobutylcarbamoylamino)-phenyl-methyl]-4-keto-4-(methylamino)butyl] ester Formula: C19H29N3O3S MolecularWeight: 379.51686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(C1=CC=CC=C1)C(CCSC(=O)C)C(=O)NC

Isomeric SMILES

CC(C)CNC(=O)NC(C1=CC=CC=C1)C(CCSC(=O)C)C(=O)NC

InChI

InChI=1S/C19H29N3O3S/c1-13(2)12-21-19(25)22-17(15-8-6-5-7-9-15)16(18(24)20-4)10-11-26-14(3)23/h5-9,13,16-17H,10-12H2,1-4H3,(H,20,24)(H2,21,22,25)