decyl 2-[3-oxidanylidene-1-[(3-propoxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate

Systemtic Name: decyl 2-[3-oxidanylidene-1-[(3-propoxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: decyl 2-[3-oxo-1-[(3-propoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-(3-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid decyl ester IUPAC Name: decyl 2-[3-oxo-1-[(3-propoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(3-propoxybenzoyl)thiocarbamoyl]piperazin-2-yl]acetic acid decyl ester Formula: C27H41N3O5S MolecularWeight: 519.69654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41N3O5S/c1-3-5-6-7-8-9-10-11-18-35-24(31)20-23-26(33)28-15-16-30(23)27(36)29-25(32)21-13-12-14-22(19-21)34-17-4-2/h12-14,19,23H,3-11,15-18,20H2,1-2H3,(H,28,33)(H,29,32,36)