2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-[(4-ethylphenyl)-thiophen-2-yl-methyl]ethanamide

Systemtic Name: 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-[(4-ethylphenyl)-thiophen-2-yl-methyl]ethanamide Openeye Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(4-ethylphenyl)-(2-thienyl)methyl]acetamide CAS Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(4-ethylphenyl)-thiophen-2-ylmethyl]acetamide IUPAC Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(4-ethylphenyl)-thiophen-2-ylmethyl]acetamide Traditional Name: 2-(1,4-diketo-3H-phthalazin-2-yl)-N-[(4-ethylphenyl)-(2-thienyl)methyl]acetamide Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C23H21N3O3S/c1-2-15-9-11-16(12-10-15)21(19-8-5-13-30-19)24-20(27)14-26-23(29)18-7-4-3-6-17(18)22(28)25-26/h3-13,21H,2,14H2,1H3,(H,24,27)(H,25,28)