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

Systemtic Name: dodecyl 2-[3-oxidanylidene-1-[(2-pentoxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[3-oxo-1-[(2-pentoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-(2-pentoxyphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[3-oxo-1-[(2-pentoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[1-[(2-amoxybenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid lauryl ester Formula: C31H49N3O5S MolecularWeight: 575.80286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2OCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2OCCCCC

InChI

InChI=1S/C31H49N3O5S/c1-3-5-7-8-9-10-11-12-13-17-23-39-28(35)24-26-30(37)32-20-21-34(26)31(40)33-29(36)25-18-14-15-19-27(25)38-22-16-6-4-2/h14-15,18-19,26H,3-13,16-17,20-24H2,1-2H3,(H,32,37)(H,33,36,40)