butan-2-yl 2-[1-[(4-ethoxyphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: butan-2-yl 2-[1-[(4-ethoxyphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: sec-butyl 2-[1-[(4-ethoxybenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[1-[(4-ethoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(4-ethoxybenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid sec-butyl ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O5S/c1-4-13(3)28-17(24)12-16-19(26)21-10-11-23(16)20(29)22-18(25)14-6-8-15(9-7-14)27-5-2/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,21,26)(H,22,25,29)