S-[4-(methylamino)-3-[(3-methylbutylcarbamoylamino)-phenyl-methyl]-4-oxidanylidene-butyl] ethanethioate

Systemtic Name: S-[4-(methylamino)-3-[(3-methylbutylcarbamoylamino)-phenyl-methyl]-4-oxidanylidene-butyl] ethanethioate Openeye Name: S-[3-[(isopentylcarbamoylamino)-phenyl-methyl]-4-(methylamino)-4-oxo-butyl] ethanethioate CAS Name: ethanethioic acid S-[4-(methylamino)-3-[[[(3-methylbutylamino)-oxomethyl]amino]-phenylmethyl]-4-oxobutyl] ester IUPAC Name: S-[4-(methylamino)-3-[(3-methylbutylcarbamoylamino)-phenylmethyl]-4-oxobutyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[(isoamylcarbamoylamino)-phenyl-methyl]-4-keto-4-(methylamino)butyl] ester Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O3S/c1-14(2)10-12-22-20(26)23-18(16-8-6-5-7-9-16)17(19(25)21-4)11-13-27-15(3)24/h5-9,14,17-18H,10-13H2,1-4H3,(H,21,25)(H2,22,23,26)