7-[4-azanylbutyl(ethyl)amino]-6,7-diisothiocyanato-3,6-dihydro-2H-phthalazine-1,4-dione

Systemtic Name: 7-[4-azanylbutyl(ethyl)amino]-6,7-diisothiocyanato-3,6-dihydro-2H-phthalazine-1,4-dione Openeye Name: 7-[4-aminobutyl(ethyl)amino]-6,7-diisothiocyanato-3,6-dihydro-2H-phthalazine-1,4-dione CAS Name: 7-[4-aminobutyl(ethyl)amino]-6,7-diisothiocyanato-3,6-dihydro-2H-phthalazine-1,4-dione IUPAC Name: 7-[4-aminobutyl(ethyl)amino]-6,7-diisothiocyanato-3,6-dihydro-2H-phthalazine-1,4-dione Traditional Name: 7-[4-aminobutyl(ethyl)amino]-6,7-diisothiocyanato-3,6-dihydro-2H-phthalazine-1,4-quinone Formula: C16H20N6O2S2 MolecularWeight: 392.499

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCN)C1(C=C2C(=CC1N=C=S)C(=O)NNC2=O)N=C=S

Isomeric SMILES

CCN(CCCCN)C1(C=C2C(=CC1N=C=S)C(=O)NNC2=O)N=C=S

InChI

InChI=1S/C16H20N6O2S2/c1-2-22(6-4-3-5-17)16(19-10-26)8-12-11(7-13(16)18-9-25)14(23)20-21-15(12)24/h7-8,13H,2-6,17H2,1H3,(H,20,23)(H,21,24)