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

Systemtic Name: 3-phenylpropyl 4-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[(4-methyl-1-piperazinyl)sulfonyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[4-(4-methylpiperazino)sulfonylphenyl]thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C25H32N4O5S2 MolecularWeight: 532.67538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O5S2/c1-28-15-17-29(18-16-28)36(32,33)22-11-9-21(10-12-22)26-25(35)27-23(30)13-14-24(31)34-19-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-12H,5,8,13-19H2,1H3,(H2,26,27,30,35)