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

Systemtic Name: propyl 2-[3-oxidanylidene-1-[(3-propan-2-yloxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: propyl 2-[1-[(3-isopropoxybenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-(3-propan-2-yloxyphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid propyl ester IUPAC Name: propyl 2-[3-oxo-1-[(3-propan-2-yloxybenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[1-[(3-isopropoxybenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid propyl ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O5S/c1-4-10-27-17(24)12-16-19(26)21-8-9-23(16)20(29)22-18(25)14-6-5-7-15(11-14)28-13(2)3/h5-7,11,13,16H,4,8-10,12H2,1-3H3,(H,21,26)(H,22,25,29)