1-[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]-3-(2-thiophen-2-ylethyl)thiourea

Systemtic Name: 1-[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]-3-(2-thiophen-2-ylethyl)thiourea Openeye Name: 1-[(4-oxo-3-phenyl-phthalazine-1-carbonyl)amino]-3-[2-(2-thienyl)ethyl]thiourea CAS Name: 1-[[oxo-(4-oxo-3-phenyl-1-phthalazinyl)methyl]amino]-3-(2-thiophen-2-ylethyl)thiourea IUPAC Name: 1-[(4-oxo-3-phenylphthalazine-1-carbonyl)amino]-3-(2-thiophen-2-ylethyl)thiourea Traditional Name: 1-[(4-keto-3-phenyl-phthalazine-1-carbonyl)amino]-3-[2-(2-thienyl)ethyl]thiourea Formula: C22H19N5O2S2 MolecularWeight: 449.54856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NNC(=S)NCCC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NNC(=S)NCCC4=CC=CS4

InChI

InChI=1S/C22H19N5O2S2/c28-20(24-25-22(30)23-13-12-16-9-6-14-31-16)19-17-10-4-5-11-18(17)21(29)27(26-19)15-7-2-1-3-8-15/h1-11,14H,12-13H2,(H,24,28)(H2,23,25,30)