1-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]-3-(2-phenylsulfanylethyl)thiourea

Systemtic Name: 1-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]-3-(2-phenylsulfanylethyl)thiourea Openeye Name: 1-[(4-oxo-3H-phthalazine-1-carbonyl)amino]-3-(2-phenylsulfanylethyl)thiourea CAS Name: 1-[[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]amino]-3-[2-(phenylthio)ethyl]thiourea IUPAC Name: 1-[(4-oxo-3H-phthalazine-1-carbonyl)amino]-3-(2-phenylsulfanylethyl)thiourea Traditional Name: 1-[(4-keto-3H-phthalazine-1-carbonyl)amino]-3-[2-(phenylthio)ethyl]thiourea Formula: C18H17N5O2S2 MolecularWeight: 399.48988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=S)NNC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=S)NNC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H17N5O2S2/c24-16-14-9-5-4-8-13(14)15(20-21-16)17(25)22-23-18(26)19-10-11-27-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,21,24)(H,22,25)(H2,19,23,26)