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

Systemtic Name: 1-ethyl-3-[[3-(3-methylbutyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]thiourea Openeye Name: 1-ethyl-3-[(3-isopentyl-4-oxo-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-ethyl-3-[[[3-(3-methylbutyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]thiourea IUPAC Name: 1-ethyl-3-[[3-(3-methylbutyl)-4-oxophthalazine-1-carbonyl]amino]thiourea Traditional Name: 1-ethyl-3-[(3-isoamyl-4-keto-phthalazine-1-carbonyl)amino]thiourea Formula: C17H23N5O2S MolecularWeight: 361.46182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O2S/c1-4-18-17(25)20-19-15(23)14-12-7-5-6-8-13(12)16(24)22(21-14)10-9-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,19,23)(H2,18,20,25)