1-(furan-2-ylmethyl)-3-[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]thiourea

Systemtic Name: 1-(furan-2-ylmethyl)-3-[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-(2-furylmethyl)-3-[(4-oxo-3-propyl-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-(2-furanylmethyl)-3-[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]amino]thiourea IUPAC Name: 1-(furan-2-ylmethyl)-3-[(4-oxo-3-propylphthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-(2-furfuryl)-3-[(4-keto-3-propyl-phthalazine-1-carbonyl)amino]thiourea Formula: C18H19N5O3S MolecularWeight: 385.44016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCC3=CC=CO3

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCC3=CC=CO3

InChI

InChI=1S/C18H19N5O3S/c1-2-9-23-17(25)14-8-4-3-7-13(14)15(22-23)16(24)20-21-18(27)19-11-12-6-5-10-26-12/h3-8,10H,2,9,11H2,1H3,(H,20,24)(H2,19,21,27)