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

Systemtic Name: N-[4-(2-azanyl-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: N-[4-(2-amino-2-oxo-ethyl)thiazol-2-yl]-3-benzyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-(2-amino-2-oxoethyl)-2-thiazolyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-benzyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[4-(2-amino-2-keto-ethyl)thiazol-2-yl]-3-benzyl-4-keto-phthalazine-1-carboxamide Formula: C21H17N5O3S MolecularWeight: 419.45638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N5O3S/c22-17(27)10-14-12-30-21(23-14)24-19(28)18-15-8-4-5-9-16(15)20(29)26(25-18)11-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H2,22,27)(H,23,24,28)