1-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea

Systemtic Name: 1-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea Openeye Name: 1-[(3-butyl-4-oxo-phthalazine-1-carbonyl)amino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea CAS Name: 1-[[(3-butyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea IUPAC Name: 1-[(3-butyl-4-oxophthalazine-1-carbonyl)amino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea Traditional Name: 1-[(3-butyl-4-keto-phthalazine-1-carbonyl)amino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NC3CCCCC3C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)N[C@H]3CCCC[C@@H]3C

InChI

InChI=1S/C21H29N5O2S/c1-3-4-13-26-20(28)16-11-7-6-10-15(16)18(25-26)19(27)23-24-21(29)22-17-12-8-5-9-14(17)2/h6-7,10-11,14,17H,3-5,8-9,12-13H2,1-2H3,(H,23,27)(H2,22,24,29)/t14-,17-/m0/s1