N-[(6S)-3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(6S)-3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-keto-phthalazine-1-carboxamide Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C4=C(S3)CC(CC4)C)C(=O)N

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C4=C(S3)C[C@H](CC4)C)C(=O)N

InChI

InChI=1S/C23H26N4O3S/c1-3-4-11-27-23(30)15-8-6-5-7-14(15)19(26-27)21(29)25-22-18(20(24)28)16-10-9-13(2)12-17(16)31-22/h5-8,13H,3-4,9-12H2,1-2H3,(H2,24,28)(H,25,29)/t13-/m0/s1