N-[3-(1,3-benzothiazol-2-yl)propyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3-benzyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3-benzyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3-benzyl-4-keto-phthalazine-1-carboxamide Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCCCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCCCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H22N4O2S/c31-25(27-16-8-15-23-28-21-13-6-7-14-22(21)33-23)24-19-11-4-5-12-20(19)26(32)30(29-24)17-18-9-2-1-3-10-18/h1-7,9-14H,8,15-17H2,(H,27,31)