(E)-N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide

Systemtic Name: (E)-N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Openeye Name: (E)-N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-(4-isopropylphenyl)prop-2-enamide CAS Name: (E)-N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-(4-propan-2-ylphenyl)-2-propenamide IUPAC Name: (E)-N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Traditional Name: (E)-N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]-3-p-cumenyl-acrylamide Formula: C27H34N4O2S MolecularWeight: 478.64946

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C27H34N4O2S/c1-4-5-26(33)31-18-16-30(17-19-31)24-13-11-23(12-14-24)28-27(34)29-25(32)15-8-21-6-9-22(10-7-21)20(2)3/h6-15,20H,4-5,16-19H2,1-3H3,(H2,28,29,32,34)/b15-8+