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

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-keto-phthalazine-1-carboxamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N

InChI

InChI=1S/C22H24N4O3S/c1-2-3-12-26-22(29)14-9-5-4-8-13(14)18(25-26)20(28)24-21-17(19(23)27)15-10-6-7-11-16(15)30-21/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H2,23,27)(H,24,28)