2-ethoxyethyl 2-[3-oxidanylidene-1-[(4-propan-2-yloxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate

Systemtic Name: 2-ethoxyethyl 2-[3-oxidanylidene-1-[(4-propan-2-yloxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: 2-ethoxyethyl 2-[1-[(4-isopropoxybenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-(4-propan-2-yloxyphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl 2-[3-oxo-1-[(4-propan-2-yloxybenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[1-[(4-isopropoxybenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid 2-ethoxyethyl ester Formula: C21H29N3O6S MolecularWeight: 451.53646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O6S/c1-4-28-11-12-29-18(25)13-17-20(27)22-9-10-24(17)21(31)23-19(26)15-5-7-16(8-6-15)30-14(2)3/h5-8,14,17H,4,9-13H2,1-3H3,(H,22,27)(H,23,26,31)