3-methylbutyl 2-[1-[(2-hexoxyphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[1-[(2-hexoxyphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-[(2-hexoxybenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(2-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-[(2-hexoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(2-hexoxybenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C25H37N3O5S MolecularWeight: 491.64338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCC(C)C

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCC(C)C

InChI

InChI=1S/C25H37N3O5S/c1-4-5-6-9-15-32-21-11-8-7-10-19(21)23(30)27-25(34)28-14-13-26-24(31)20(28)17-22(29)33-16-12-18(2)3/h7-8,10-11,18,20H,4-6,9,12-17H2,1-3H3,(H,26,31)(H,27,30,34)