S-[2-[2-cyclohexylethyl-[[1-(2-dimethylaminoethylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]amino]ethyl] ethanethioate

Systemtic Name: S-[2-[2-cyclohexylethyl-[[1-(2-dimethylaminoethylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]amino]ethyl] ethanethioate Openeye Name: S-[2-[2-cyclohexylethyl-[[2-(2-dimethylaminoethylamino)-1-methyl-2-oxo-ethyl]carbamoyl]amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[2-cyclohexylethyl-[[[1-(2-dimethylaminoethylamino)-1-oxopropan-2-yl]amino]-oxomethyl]amino]ethyl] ester IUPAC Name: S-[2-[2-cyclohexylethyl-[[1-(2-dimethylaminoethylamino)-1-oxopropan-2-yl]carbamoyl]amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[2-cyclohexylethyl-[[2-(2-dimethylaminoethylamino)-2-keto-1-methyl-ethyl]carbamoyl]amino]ethyl] ester Formula: C20H38N4O3S MolecularWeight: 414.60572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCN(C)C)NC(=O)N(CCC1CCCCC1)CCSC(=O)C

Isomeric SMILES

CC(C(=O)NCCN(C)C)NC(=O)N(CCC1CCCCC1)CCSC(=O)C

InChI

InChI=1S/C20H38N4O3S/c1-16(19(26)21-11-13-23(3)4)22-20(27)24(14-15-28-17(2)25)12-10-18-8-6-5-7-9-18/h16,18H,5-15H2,1-4H3,(H,21,26)(H,22,27)