S-[2-[2-cyclohexylethyl-[[1-(4-methylpiperazin-1-yl)carbonylcyclopentyl]carbamoyl]amino]ethyl] ethanethioate

Systemtic Name: S-[2-[2-cyclohexylethyl-[[1-(4-methylpiperazin-1-yl)carbonylcyclopentyl]carbamoyl]amino]ethyl] ethanethioate Openeye Name: S-[2-[2-cyclohexylethyl-[[1-(4-methylpiperazine-1-carbonyl)cyclopentyl]carbamoyl]amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[2-cyclohexylethyl-[[[1-[(4-methyl-1-piperazinyl)-oxomethyl]cyclopentyl]amino]-oxomethyl]amino]ethyl] ester IUPAC Name: S-[2-[2-cyclohexylethyl-[[1-(4-methylpiperazine-1-carbonyl)cyclopentyl]carbamoyl]amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[2-cyclohexylethyl-[[1-(4-methylpiperazine-1-carbonyl)cyclopentyl]carbamoyl]amino]ethyl] ester Formula: C24H42N4O3S MolecularWeight: 466.68028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1CCCCC1)C(=O)NC2(CCCC2)C(=O)N3CCN(CC3)C

Isomeric SMILES

CC(=O)SCCN(CCC1CCCCC1)C(=O)NC2(CCCC2)C(=O)N3CCN(CC3)C

InChI

InChI=1S/C24H42N4O3S/c1-20(29)32-19-18-28(13-10-21-8-4-3-5-9-21)23(31)25-24(11-6-7-12-24)22(30)27-16-14-26(2)15-17-27/h21H,3-19H2,1-2H3,(H,25,31)