1-[[3-(3-methylbutyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]-3-propan-2-yl-thiourea

Systemtic Name: 1-[[3-(3-methylbutyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]-3-propan-2-yl-thiourea Openeye Name: 1-[(3-isopentyl-4-oxo-phthalazine-1-carbonyl)amino]-3-isopropyl-thiourea CAS Name: 1-[[[3-(3-methylbutyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]-3-propan-2-ylthiourea IUPAC Name: 1-[[3-(3-methylbutyl)-4-oxophthalazine-1-carbonyl]amino]-3-propan-2-ylthiourea Traditional Name: 1-[(3-isoamyl-4-keto-phthalazine-1-carbonyl)amino]-3-isopropyl-thiourea Formula: C18H25N5O2S MolecularWeight: 375.4884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O2S/c1-11(2)9-10-23-17(25)14-8-6-5-7-13(14)15(22-23)16(24)20-21-18(26)19-12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H,20,24)(H2,19,21,26)