4-methyl-N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylcarbamothioyl]benzamide

Systemtic Name: 4-methyl-N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylcarbamothioyl]benzamide Openeye Name: 4-methyl-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylcarbamothioyl]benzamide CAS Name: 4-methyl-N-[[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-methyl-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylcarbamothioyl]benzamide Traditional Name: N-[3-[(4-keto-3H-phthalazin-1-yl)amino]propylthiocarbamoyl]-4-methyl-benzamide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NCCCNC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NCCCNC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C20H21N5O2S/c1-13-7-9-14(10-8-13)18(26)23-20(28)22-12-4-11-21-17-15-5-2-3-6-16(15)19(27)25-24-17/h2-3,5-10H,4,11-12H2,1H3,(H,21,24)(H,25,27)(H2,22,23,26,28)