1-(2-methoxyethyl)-3-[[3-(3-methylbutyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]thiourea

Systemtic Name: 1-(2-methoxyethyl)-3-[[3-(3-methylbutyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]thiourea Openeye Name: 1-[(3-isopentyl-4-oxo-phthalazine-1-carbonyl)amino]-3-(2-methoxyethyl)thiourea CAS Name: 1-(2-methoxyethyl)-3-[[[3-(3-methylbutyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(2-methoxyethyl)-3-[[3-(3-methylbutyl)-4-oxophthalazine-1-carbonyl]amino]thiourea Traditional Name: 1-[(3-isoamyl-4-keto-phthalazine-1-carbonyl)amino]-3-(2-methoxyethyl)thiourea Formula: C18H25N5O3S MolecularWeight: 391.4878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCCOC

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCCOC

InChI

InChI=1S/C18H25N5O3S/c1-12(2)8-10-23-17(25)14-7-5-4-6-13(14)15(22-23)16(24)20-21-18(27)19-9-11-26-3/h4-7,12H,8-11H2,1-3H3,(H,20,24)(H2,19,21,27)