1-(2-methoxy-4-nitro-phenyl)-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]thiourea

Systemtic Name: 1-(2-methoxy-4-nitro-phenyl)-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]thiourea Openeye Name: 1-(2-methoxy-4-nitro-phenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiourea CAS Name: 1-(2-methoxy-4-nitrophenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiourea IUPAC Name: 1-(2-methoxy-4-nitrophenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiourea Traditional Name: 1-[3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C19H20N6O4S MolecularWeight: 428.4649

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NCCCNC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NCCCNC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C19H20N6O4S/c1-29-16-11-12(25(27)28)7-8-15(16)22-19(30)21-10-4-9-20-17-13-5-2-3-6-14(13)18(26)24-23-17/h2-3,5-8,11H,4,9-10H2,1H3,(H,20,23)(H,24,26)(H2,21,22,30)