N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[4-(1H-indol-3-yl)thiazol-2-yl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-(1H-indol-3-yl)-2-thiazolyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[4-(1H-indol-3-yl)thiazol-2-yl]-4-keto-phthalazine-1-carboxamide Formula: C27H19N5O2S MolecularWeight: 477.53706

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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=NC(=CS4)C5=CNC6=CC=CC=C65

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=NC(=CS4)C5=CNC6=CC=CC=C65

InChI

InChI=1S/C27H19N5O2S/c33-25(30-27-29-23(16-35-27)21-14-28-22-13-7-6-10-18(21)22)24-19-11-4-5-12-20(19)26(34)32(31-24)15-17-8-2-1-3-9-17/h1-14,16,28H,15H2,(H,29,30,33)