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

Systemtic Name: S-[2-[2-cyclohexylethyl-[[1-(4-methylpiperazin-1-yl)carbonylcyclopropyl]carbamoyl]amino]ethyl] ethanethioate Openeye Name: S-[2-[2-cyclohexylethyl-[[1-(4-methylpiperazine-1-carbonyl)cyclopropyl]carbamoyl]amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[2-cyclohexylethyl-[[[1-[(4-methyl-1-piperazinyl)-oxomethyl]cyclopropyl]amino]-oxomethyl]amino]ethyl] ester IUPAC Name: S-[2-[2-cyclohexylethyl-[[1-(4-methylpiperazine-1-carbonyl)cyclopropyl]carbamoyl]amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[2-cyclohexylethyl-[[1-(4-methylpiperazine-1-carbonyl)cyclopropyl]carbamoyl]amino]ethyl] ester Formula: C22H38N4O3S MolecularWeight: 438.62712

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1CCCCC1)C(=O)NC2(CC2)C(=O)N3CCN(CC3)C

Isomeric SMILES

CC(=O)SCCN(CCC1CCCCC1)C(=O)NC2(CC2)C(=O)N3CCN(CC3)C

InChI

InChI=1S/C22H38N4O3S/c1-18(27)30-17-16-26(11-8-19-6-4-3-5-7-19)21(29)23-22(9-10-22)20(28)25-14-12-24(2)13-15-25/h19H,3-17H2,1-2H3,(H,23,29)