S-[2-[4-methyl-3-(3-methylbutylcarbamoylamino)-1-(4-methylpentanoyl)piperazin-2-yl]ethyl] ethanethioate

Systemtic Name: S-[2-[4-methyl-3-(3-methylbutylcarbamoylamino)-1-(4-methylpentanoyl)piperazin-2-yl]ethyl] ethanethioate Openeye Name: S-[2-[3-(isopentylcarbamoylamino)-4-methyl-1-(4-methylpentanoyl)piperazin-2-yl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-methyl-3-[[(3-methylbutylamino)-oxomethyl]amino]-1-(4-methyl-1-oxopentyl)-2-piperazinyl]ethyl] ester IUPAC Name: S-[2-[4-methyl-3-(3-methylbutylcarbamoylamino)-1-(4-methylpentanoyl)piperazin-2-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[3-(isoamylcarbamoylamino)-4-methyl-1-(4-methylpentanoyl)piperazin-2-yl]ethyl] ester Formula: C21H40N4O3S MolecularWeight: 428.6323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)N1CCN(C(C1CCSC(=O)C)NC(=O)NCCC(C)C)C

Isomeric SMILES

CC(C)CCC(=O)N1CCN(C(C1CCSC(=O)C)NC(=O)NCCC(C)C)C

InChI

InChI=1S/C21H40N4O3S/c1-15(2)7-8-19(27)25-13-12-24(6)20(18(25)10-14-29-17(5)26)23-21(28)22-11-9-16(3)4/h15-16,18,20H,7-14H2,1-6H3,(H2,22,23,28)