decyl 2-[1-(2-naphthalen-1-ylethanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: decyl 2-[1-(2-naphthalen-1-ylethanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: decyl 2-[1-[[2-(1-naphthyl)acetyl]carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[2-(1-naphthalenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid decyl ester IUPAC Name: decyl 2-[1-[(2-naphthalen-1-ylacetyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[[2-(1-naphthyl)acetyl]thiocarbamoyl]piperazin-2-yl]acetic acid decyl ester Formula: C29H39N3O4S MolecularWeight: 525.70266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C29H39N3O4S/c1-2-3-4-5-6-7-8-11-19-36-27(34)21-25-28(35)30-17-18-32(25)29(37)31-26(33)20-23-15-12-14-22-13-9-10-16-24(22)23/h9-10,12-16,25H,2-8,11,17-21H2,1H3,(H,30,35)(H,31,33,37)