1-(4-methylsulfonylbutyl)-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]thiourea

Systemtic Name: 1-(4-methylsulfonylbutyl)-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]thiourea Openeye Name: 1-(4-methylsulfonylbutyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiourea CAS Name: 1-(4-methylsulfonylbutyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiourea IUPAC Name: 1-(4-methylsulfonylbutyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiourea Traditional Name: 1-[3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]-3-(4-mesylbutyl)thiourea Formula: C17H25N5O3S2 MolecularWeight: 411.5421

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCCCNC(=S)NCCCNC1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

CS(=O)(=O)CCCCNC(=S)NCCCNC1=NNC(=O)C2=CC=CC=C21

InChI

InChI=1S/C17H25N5O3S2/c1-27(24,25)12-5-4-9-19-17(26)20-11-6-10-18-15-13-7-2-3-8-14(13)16(23)22-21-15/h2-3,7-8H,4-6,9-12H2,1H3,(H,18,21)(H,22,23)(H2,19,20,26)