(E)-N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylcarbamothioyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylcarbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylcarbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylcarbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[3-[(4-keto-3H-phthalazin-1-yl)amino]propylthiocarbamoyl]-3-phenyl-acrylamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)NC(=S)NCCCNC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)NC(=S)NCCCNC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H21N5O2S/c27-18(12-11-15-7-2-1-3-8-15)24-21(29)23-14-6-13-22-19-16-9-4-5-10-17(16)20(28)26-25-19/h1-5,7-12H,6,13-14H2,(H,22,25)(H,26,28)(H2,23,24,27,29)/b12-11+