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

Systemtic Name: butan-2-yl 2-[1-[(2-butoxyphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: sec-butyl 2-[1-[(2-butoxybenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(2-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[1-[(2-butoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(2-butoxybenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid sec-butyl ester Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OC(C)CC

Isomeric SMILES

CCCCOC1=CC=CC=C1C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OC(C)CC

InChI

InChI=1S/C22H31N3O5S/c1-4-6-13-29-18-10-8-7-9-16(18)20(27)24-22(31)25-12-11-23-21(28)17(25)14-19(26)30-15(3)5-2/h7-10,15,17H,4-6,11-14H2,1-3H3,(H,23,28)(H,24,27,31)