N-(1-oxidanylidene-4-phenyl-phthalazin-2-yl)-N-[(phenylmethyl)amino]methanethioamide

Systemtic Name: N-(1-oxidanylidene-4-phenyl-phthalazin-2-yl)-N-[(phenylmethyl)amino]methanethioamide Openeye Name: N-(benzylamino)-N-(1-oxo-4-phenyl-phthalazin-2-yl)thioformamide CAS Name: N-(1-oxo-4-phenyl-2-phthalazinyl)-N-[(phenylmethyl)amino]methanethioamide IUPAC Name: N-(benzylamino)-N-(1-oxo-4-phenylphthalazin-2-yl)methanethioamide Traditional Name: N-(benzylamino)-N-(1-keto-4-phenyl-phthalazin-2-yl)thioformamide Formula: C22H18N4OS MolecularWeight: 386.46952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNN(C=S)N2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNN(C=S)N2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CC=C4

InChI

InChI=1S/C22H18N4OS/c27-22-20-14-8-7-13-19(20)21(18-11-5-2-6-12-18)24-26(22)25(16-28)23-15-17-9-3-1-4-10-17/h1-14,16,23H,15H2