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

Systemtic Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(4-oxo-3-pentyl-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[[oxo-(4-oxo-3-pentyl-1-phthalazinyl)methyl]amino]thiourea IUPAC Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-[(3-amyl-4-keto-phthalazine-1-carbonyl)amino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea Formula: C22H31N5O2S MolecularWeight: 429.57884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NC3CCCCC3C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)N[C@H]3CCCC[C@@H]3C

InChI

InChI=1S/C22H31N5O2S/c1-3-4-9-14-27-21(29)17-12-7-6-11-16(17)19(26-27)20(28)24-25-22(30)23-18-13-8-5-10-15(18)2/h6-7,11-12,15,18H,3-5,8-10,13-14H2,1-2H3,(H,24,28)(H2,23,25,30)/t15-,18-/m0/s1