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

Systemtic Name: dodecyl 2-[3-oxidanylidene-1-[(3-propoxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: dodecyl 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 dodecyl ester IUPAC Name: dodecyl 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 lauryl ester Formula: C29H45N3O5S MolecularWeight: 547.7497

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H45N3O5S/c1-3-5-6-7-8-9-10-11-12-13-20-37-26(33)22-25-28(35)30-17-18-32(25)29(38)31-27(34)23-15-14-16-24(21-23)36-19-4-2/h14-16,21,25H,3-13,17-20,22H2,1-2H3,(H,30,35)(H,31,34,38)