1-(4-methylsulfanylphenyl)-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]urea

Systemtic Name: 1-(4-methylsulfanylphenyl)-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]urea Openeye Name: 1-(4-methylsulfanylphenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]urea CAS Name: 1-[4-(methylthio)phenyl]-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]urea IUPAC Name: 1-(4-methylsulfanylphenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]urea Traditional Name: 1-[3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]-3-[4-(methylthio)phenyl]urea Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)NCCCNC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)NCCCNC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C19H21N5O2S/c1-27-14-9-7-13(8-10-14)22-19(26)21-12-4-11-20-17-15-5-2-3-6-16(15)18(25)24-23-17/h2-3,5-10H,4,11-12H2,1H3,(H,20,23)(H,24,25)(H2,21,22,26)