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

Systemtic Name: 3-phenylpropyl 4-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 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 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[2-(4-methylpiperazine-1-carbonyl)phenyl]thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C26H32N4O4S MolecularWeight: 496.62168

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C26H32N4O4S/c1-29-15-17-30(18-16-29)25(33)21-11-5-6-12-22(21)27-26(35)28-23(31)13-14-24(32)34-19-7-10-20-8-3-2-4-9-20/h2-6,8-9,11-12H,7,10,13-19H2,1H3,(H2,27,28,31,35)