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

Systemtic Name: (E)-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Openeye Name: (E)-3-(4-isopropylphenyl)-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-N-[[4-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-(4-propan-2-ylphenyl)-2-propenamide IUPAC Name: (E)-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Traditional Name: (E)-3-p-cumenyl-N-[[4-(4-propionylpiperazino)phenyl]thiocarbamoyl]acrylamide Formula: C26H32N4O2S MolecularWeight: 464.62288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(=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/C26H32N4O2S/c1-4-25(32)30-17-15-29(16-18-30)23-12-10-22(11-13-23)27-26(33)28-24(31)14-7-20-5-8-21(9-6-20)19(2)3/h5-14,19H,4,15-18H2,1-3H3,(H2,27,28,31,33)/b14-7+