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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O2S/c1-10(2)8-9-21-15(23)12-7-5-4-6-11(12)13(20-21)14(22)18-19-16(24)17-3/h4-7,10H,8-9H2,1-3H3,(H,18,22)(H2,17,19,24)