2-methoxyethyl 4-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[2-(4-methylpiperazine-1-carbonyl)phenyl]thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C20H28N4O5S MolecularWeight: 436.52512

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)CCC(=O)OCCOC

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)CCC(=O)OCCOC

InChI

InChI=1S/C20H28N4O5S/c1-23-9-11-24(12-10-23)19(27)15-5-3-4-6-16(15)21-20(30)22-17(25)7-8-18(26)29-14-13-28-2/h3-6H,7-14H2,1-2H3,(H2,21,22,25,30)