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

Systemtic Name: 1-methyl-3-[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-methyl-3-[(4-oxo-3-pentyl-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-methyl-3-[[oxo-(4-oxo-3-pentyl-1-phthalazinyl)methyl]amino]thiourea IUPAC Name: 1-methyl-3-[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-[(3-amyl-4-keto-phthalazine-1-carbonyl)amino]-3-methyl-thiourea Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NC

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NC

InChI

InChI=1S/C16H21N5O2S/c1-3-4-7-10-21-15(23)12-9-6-5-8-11(12)13(20-21)14(22)18-19-16(24)17-2/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,18,22)(H2,17,19,24)