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

Systemtic Name: 1-butyl-3-[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-butyl-3-[(3-ethyl-4-oxo-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-butyl-3-[[(3-ethyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]thiourea IUPAC Name: 1-butyl-3-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-butyl-3-[(3-ethyl-4-keto-phthalazine-1-carbonyl)amino]thiourea Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC

Isomeric SMILES

CCCCNC(=S)NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC

InChI

InChI=1S/C16H21N5O2S/c1-3-5-10-17-16(24)19-18-14(22)13-11-8-6-7-9-12(11)15(23)21(4-2)20-13/h6-9H,3-5,10H2,1-2H3,(H,18,22)(H2,17,19,24)