S-[2-[4-methyl-3-[(phenylmethyl)carbamoylamino]-1-propanoyl-piperazin-2-yl]ethyl] ethanethioate

Systemtic Name: S-[2-[4-methyl-3-[(phenylmethyl)carbamoylamino]-1-propanoyl-piperazin-2-yl]ethyl] ethanethioate Openeye Name: S-[2-[3-(benzylcarbamoylamino)-4-methyl-1-propanoyl-piperazin-2-yl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-methyl-3-[[oxo-[(phenylmethyl)amino]methyl]amino]-1-(1-oxopropyl)-2-piperazinyl]ethyl] ester IUPAC Name: S-[2-[3-(benzylcarbamoylamino)-4-methyl-1-propanoylpiperazin-2-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[3-(benzylcarbamoylamino)-4-methyl-1-propionyl-piperazin-2-yl]ethyl] ester Formula: C20H30N4O3S MolecularWeight: 406.5422

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(C(C1CCSC(=O)C)NC(=O)NCC2=CC=CC=C2)C

Isomeric SMILES

CCC(=O)N1CCN(C(C1CCSC(=O)C)NC(=O)NCC2=CC=CC=C2)C

InChI

InChI=1S/C20H30N4O3S/c1-4-18(26)24-12-11-23(3)19(17(24)10-13-28-15(2)25)22-20(27)21-14-16-8-6-5-7-9-16/h5-9,17,19H,4,10-14H2,1-3H3,(H2,21,22,27)