1-(4-butylphenyl)-3-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]thiourea Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C21H23N5O2S/c1-3-4-7-14-10-12-15(13-11-14)22-21(29)24-23-19(27)18-16-8-5-6-9-17(16)20(28)26(2)25-18/h5-6,8-13H,3-4,7H2,1-2H3,(H,23,27)(H2,22,24,29)