2-ethoxyethyl 2-[1-[(4-tert-butylphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 2-ethoxyethyl 2-[1-[(4-tert-butylphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-ethoxyethyl 2-[1-[(4-tert-butylbenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl 2-[1-[(4-tert-butylbenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(4-tert-butylbenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid 2-ethoxyethyl ester Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCOCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H31N3O5S/c1-5-29-12-13-30-18(26)14-17-20(28)23-10-11-25(17)21(31)24-19(27)15-6-8-16(9-7-15)22(2,3)4/h6-9,17H,5,10-14H2,1-4H3,(H,23,28)(H,24,27,31)