dodecyl 2-[3-oxidanylidene-1-[(4-propan-2-yloxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate

Systemtic Name: dodecyl 2-[3-oxidanylidene-1-[(4-propan-2-yloxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[1-[(4-isopropoxybenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-(4-propan-2-yloxyphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[3-oxo-1-[(4-propan-2-yloxybenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[1-[(4-isopropoxybenzoyl)thiocarbamoyl]-3-keto-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=C(C=C2)OC(C)C

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=C(C=C2)OC(C)C

InChI

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