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

Systemtic Name: 1-[[3-(3-methylbutyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(3-isopentyl-4-oxo-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-[[[3-(3-methylbutyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[[3-(3-methylbutyl)-4-oxophthalazine-1-carbonyl]amino]thiourea Traditional Name: 1-benzyl-3-[(3-isoamyl-4-keto-phthalazine-1-carbonyl)amino]thiourea Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C22H25N5O2S/c1-15(2)12-13-27-21(29)18-11-7-6-10-17(18)19(26-27)20(28)24-25-22(30)23-14-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,24,28)(H2,23,25,30)