methyl 2-[1-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-[(4-morpholinosulfonylphenyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(4-morpholinosulfonylphenyl)thiocarbamoyl]piperazin-2-yl]acetic acid methyl ester Formula: C18H24N4O6S2 MolecularWeight: 456.53636

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC(=O)CC1C(=O)NCCN1C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H24N4O6S2/c1-27-16(23)12-15-17(24)19-6-7-22(15)18(29)20-13-2-4-14(5-3-13)30(25,26)21-8-10-28-11-9-21/h2-5,15H,6-12H2,1H3,(H,19,24)(H,20,29)