S-[2-[2-(aminocarbonylamino)-4-methyl-1-propanoyl-3-(2-pyridin-4-ylethyl)piperazin-2-yl]ethyl] ethanethioate

Systemtic Name: S-[2-[2-(aminocarbonylamino)-4-methyl-1-propanoyl-3-(2-pyridin-4-ylethyl)piperazin-2-yl]ethyl] ethanethioate Openeye Name: S-[2-[4-methyl-1-propanoyl-3-[2-(4-pyridyl)ethyl]-2-ureido-piperazin-2-yl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[2-(carbamoylamino)-4-methyl-1-(1-oxopropyl)-3-(2-pyridin-4-ylethyl)-2-piperazinyl]ethyl] ester IUPAC Name: S-[2-[2-(carbamoylamino)-4-methyl-1-propanoyl-3-(2-pyridin-4-ylethyl)piperazin-2-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[4-methyl-1-propionyl-3-[2-(4-pyridyl)ethyl]-2-ureido-piperazin-2-yl]ethyl] ester Formula: C20H31N5O3S MolecularWeight: 421.55684

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(C(C1(CCSC(=O)C)NC(=O)N)CCC2=CC=NC=C2)C

Isomeric SMILES

CCC(=O)N1CCN(C(C1(CCSC(=O)C)NC(=O)N)CCC2=CC=NC=C2)C

InChI

InChI=1S/C20H31N5O3S/c1-4-18(27)25-13-12-24(3)17(6-5-16-7-10-22-11-8-16)20(25,23-19(21)28)9-14-29-15(2)26/h7-8,10-11,17H,4-6,9,12-14H2,1-3H3,(H3,21,23,28)