decyl 2-[3-oxidanylidene-1-[(4-propan-2-ylphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate

Systemtic Name: decyl 2-[3-oxidanylidene-1-[(4-propan-2-ylphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: decyl 2-[1-[(4-isopropylbenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-(4-propan-2-ylphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid decyl ester IUPAC Name: decyl 2-[3-oxo-1-[(4-propan-2-ylbenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[1-(cumoylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid decyl ester Formula: C27H41N3O4S MolecularWeight: 503.69714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C27H41N3O4S/c1-4-5-6-7-8-9-10-11-18-34-24(31)19-23-26(33)28-16-17-30(23)27(35)29-25(32)22-14-12-21(13-15-22)20(2)3/h12-15,20,23H,4-11,16-19H2,1-3H3,(H,28,33)(H,29,32,35)