1-[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-3-(3-ethylphenyl)thiourea

Systemtic Name: 1-[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-3-(3-ethylphenyl)thiourea Openeye Name: 1-[(3-ethyl-4-oxo-phthalazine-1-carbonyl)amino]-3-(3-ethylphenyl)thiourea CAS Name: 1-[[(3-ethyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-3-(3-ethylphenyl)thiourea IUPAC Name: 1-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]-3-(3-ethylphenyl)thiourea Traditional Name: 1-[(3-ethyl-4-keto-phthalazine-1-carbonyl)amino]-3-(3-ethylphenyl)thiourea Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC

InChI

InChI=1S/C20H21N5O2S/c1-3-13-8-7-9-14(12-13)21-20(28)23-22-18(26)17-15-10-5-6-11-16(15)19(27)25(4-2)24-17/h5-12H,3-4H2,1-2H3,(H,22,26)(H2,21,23,28)