S-[4-(2-cyclohexylethylcarbamoylamino)-6-(dimethylamino)-3-(methylcarbamoyl)hexyl] ethanethioate

Systemtic Name: S-[4-(2-cyclohexylethylcarbamoylamino)-6-(dimethylamino)-3-(methylcarbamoyl)hexyl] ethanethioate Openeye Name: S-[4-(2-cyclohexylethylcarbamoylamino)-6-(dimethylamino)-3-(methylcarbamoyl)hexyl] ethanethioate CAS Name: ethanethioic acid S-[4-[[(2-cyclohexylethylamino)-oxomethyl]amino]-6-(dimethylamino)-3-(methylcarbamoyl)hexyl] ester IUPAC Name: S-[4-(2-cyclohexylethylcarbamoylamino)-6-(dimethylamino)-3-(methylcarbamoyl)hexyl] ethanethioate Traditional Name: ethanethioic acid S-[4-(2-cyclohexylethylcarbamoylamino)-6-(dimethylamino)-3-(methylcarbamoyl)hexyl] ester Formula: C21H40N4O3S MolecularWeight: 428.6323

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(C(CCN(C)C)NC(=O)NCCC1CCCCC1)C(=O)NC

Isomeric SMILES

CC(=O)SCCC(C(CCN(C)C)NC(=O)NCCC1CCCCC1)C(=O)NC

InChI

InChI=1S/C21H40N4O3S/c1-16(26)29-15-12-18(20(27)22-2)19(11-14-25(3)4)24-21(28)23-13-10-17-8-6-5-7-9-17/h17-19H,5-15H2,1-4H3,(H,22,27)(H2,23,24,28)