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

Systemtic Name: dodecyl 2-[1-[(2-methoxyphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[1-[(2-methoxybenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[1-[(2-methoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(o-anisoylthiocarbamoyl)piperazin-2-yl]acetic acid lauryl ester Formula: C27H41N3O5S MolecularWeight: 519.69654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2OC

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2OC

InChI

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