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

Systemtic Name: methyl 2-[3-oxidanylidene-1-[(4-propan-2-yloxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OC

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OC

InChI

InChI=1S/C18H23N3O5S/c1-11(2)26-13-6-4-12(5-7-13)16(23)20-18(27)21-9-8-19-17(24)14(21)10-15(22)25-3/h4-7,11,14H,8-10H2,1-3H3,(H,19,24)(H,20,23,27)