methyl 2-[[2-[(4-methylpiperazin-1-yl)amino]-2-sulfanylidene-ethanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[2-[(4-methylpiperazin-1-yl)amino]-2-sulfanylidene-ethanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl 2-[[2-[(4-methylpiperazin-1-yl)amino]-2-thioxo-acetyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-[(4-methyl-1-piperazinyl)amino]-1-oxo-2-sulfanylideneethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-methylpiperazin-1-yl)amino]-2-sulfanylideneacetyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[(4-methylpiperazino)amino]-2-thioxo-acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C17H24N4O3S MolecularWeight: 364.46246

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC(=S)C(=O)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)NC(=S)C(=O)NC(CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C17H24N4O3S/c1-20-8-10-21(11-9-20)19-16(25)15(22)18-14(17(23)24-2)12-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3,(H,18,22)(H,19,25)