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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CCC(C)C

Isomeric SMILES

CCCCNC(=S)NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CCC(C)C

InChI

InChI=1S/C19H27N5O2S/c1-4-5-11-20-19(27)22-21-17(25)16-14-8-6-7-9-15(14)18(26)24(23-16)12-10-13(2)3/h6-9,13H,4-5,10-12H2,1-3H3,(H,21,25)(H2,20,22,27)