N-(3-aminocarbonylthiophen-2-yl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-(3-aminocarbonylthiophen-2-yl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(3-carbamoyl-2-thienyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(3-carbamoyl-2-thiophenyl)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(3-carbamoylthiophen-2-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-(3-carbamoyl-2-thienyl)-4-keto-phthalazine-1-carboxamide Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=C(C=CS4)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=C(C=CS4)C(=O)N

InChI

InChI=1S/C21H16N4O3S/c22-18(26)16-10-11-29-20(16)23-19(27)17-14-8-4-5-9-15(14)21(28)25(24-17)12-13-6-2-1-3-7-13/h1-11H,12H2,(H2,22,26)(H,23,27)