1-[(2S)-2-methylheptyl]-3-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]thiourea

Systemtic Name: 1-[(2S)-2-methylheptyl]-3-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-[(2S)-2-methylheptyl]-3-[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-[(2S)-2-methylheptyl]-3-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]thiourea IUPAC Name: 1-[(2S)-2-methylheptyl]-3-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]-3-[(2S)-2-methylheptyl]thiourea Formula: C19H27N5O2S MolecularWeight: 389.51498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC[C@H](C)CNC(=S)NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C

InChI

InChI=1S/C19H27N5O2S/c1-4-5-6-9-13(2)12-20-19(27)22-21-17(25)16-14-10-7-8-11-15(14)18(26)24(3)23-16/h7-8,10-11,13H,4-6,9,12H2,1-3H3,(H,21,25)(H2,20,22,27)/t13-/m0/s1