(E)-3-(4-methoxyphenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-methoxyphenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-methoxyphenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-methoxyphenyl)-N-[[4-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-methoxyphenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-methoxyphenyl)-N-[[4-(4-methylpiperazino)phenyl]thiocarbamoyl]acrylamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=C(C=C3)OC

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26N4O2S/c1-25-13-15-26(16-14-25)19-8-6-18(7-9-19)23-22(29)24-21(27)12-5-17-3-10-20(28-2)11-4-17/h3-12H,13-16H2,1-2H3,(H2,23,24,27,29)/b12-5+