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

Systemtic Name: S-[3-[(4-methoxyphenyl)-(3-methylbutylcarbamoylamino)methyl]-4-(methylamino)-4-oxidanylidene-butyl] ethanethioate Openeye Name: S-[3-[(isopentylcarbamoylamino)-(4-methoxyphenyl)methyl]-4-(methylamino)-4-oxo-butyl] ethanethioate CAS Name: ethanethioic acid S-[3-[(4-methoxyphenyl)-[[(3-methylbutylamino)-oxomethyl]amino]methyl]-4-(methylamino)-4-oxobutyl] ester IUPAC Name: S-[3-[(4-methoxyphenyl)-(3-methylbutylcarbamoylamino)methyl]-4-(methylamino)-4-oxobutyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[(isoamylcarbamoylamino)-(4-methoxyphenyl)methyl]-4-keto-4-(methylamino)butyl] ester Formula: C21H33N3O4S MolecularWeight: 423.56942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O4S/c1-14(2)10-12-23-21(27)24-19(16-6-8-17(28-5)9-7-16)18(20(26)22-4)11-13-29-15(3)25/h6-9,14,18-19H,10-13H2,1-5H3,(H,22,26)(H2,23,24,27)