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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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