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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N

InChI

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