pentyl 2-[1-[(3-butan-2-yloxyphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: pentyl 2-[1-[(3-butan-2-yloxyphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: pentyl 2-[3-oxo-1-[(3-sec-butoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[1-[[[(3-butan-2-yloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid pentyl ester IUPAC Name: pentyl 2-[1-[(3-butan-2-yloxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(3-sec-butoxybenzoyl)thiocarbamoyl]piperazin-2-yl]acetic acid amyl ester Formula: C23H33N3O5S MolecularWeight: 463.59022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O5S/c1-4-6-7-13-30-20(27)15-19-22(29)24-11-12-26(19)23(32)25-21(28)17-9-8-10-18(14-17)31-16(3)5-2/h8-10,14,16,19H,4-7,11-13,15H2,1-3H3,(H,24,29)(H,25,28,32)