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

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-keto-3H-phthalazine-1-carboxamide Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NNC(=O)C4=CC=CC=C43)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NNC(=O)C4=CC=CC=C43)C(=O)N

InChI

InChI=1S/C18H16N4O3S/c19-15(23)13-11-7-3-4-8-12(11)26-18(13)20-17(25)14-9-5-1-2-6-10(9)16(24)22-21-14/h1-2,5-6H,3-4,7-8H2,(H2,19,23)(H,20,25)(H,22,24)