2-[2-(4-phenylphthalazin-1-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(4-phenylphthalazin-1-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[1-oxo-2-[(4-phenyl-1-phthalazinyl)thio]ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[(4-phenylphthalazin-1-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C25H22N4O2S2 MolecularWeight: 474.59778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C25H22N4O2S2/c26-23(31)21-18-12-6-7-13-19(18)33-25(21)27-20(30)14-32-24-17-11-5-4-10-16(17)22(28-29-24)15-8-2-1-3-9-15/h1-5,8-11H,6-7,12-14H2,(H2,26,31)(H,27,30)