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

Systemtic Name: N-[(6S)-3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-keto-3H-phthalazine-1-carboxamide Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C19H18N4O3S/c1-9-6-7-12-13(8-9)27-19(14(12)16(20)24)21-18(26)15-10-4-2-3-5-11(10)17(25)23-22-15/h2-5,9H,6-8H2,1H3,(H2,20,24)(H,21,26)(H,23,25)/t9-/m0/s1