N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[4-[4-(2-acetamidoethyl)phenyl]thiazol-2-yl]-3-butyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-[4-(2-acetamidoethyl)phenyl]-2-thiazolyl]-3-butyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-butyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[4-[4-(2-acetamidoethyl)phenyl]thiazol-2-yl]-3-butyl-4-keto-phthalazine-1-carboxamide Formula: C26H27N5O3S MolecularWeight: 489.58928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)CCNC(=O)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)CCNC(=O)C

InChI

InChI=1S/C26H27N5O3S/c1-3-4-15-31-25(34)21-8-6-5-7-20(21)23(30-31)24(33)29-26-28-22(16-35-26)19-11-9-18(10-12-19)13-14-27-17(2)32/h5-12,16H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29,33)