dodecyl 2-[1-(cyclohexylcarbonylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: dodecyl 2-[1-(cyclohexylcarbonylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[1-(cyclohexanecarbonylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[cyclohexyl(oxo)methyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[1-(cyclohexanecarbonylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(cyclohexanecarbonylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid lauryl ester Formula: C26H45N3O4S MolecularWeight: 495.7182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2CCCCC2

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2CCCCC2

InChI

InChI=1S/C26H45N3O4S/c1-2-3-4-5-6-7-8-9-10-14-19-33-23(30)20-22-25(32)27-17-18-29(22)26(34)28-24(31)21-15-12-11-13-16-21/h21-22H,2-20H2,1H3,(H,27,32)(H,28,31,34)