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

Systemtic Name: N-(3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C20H20N4O3S MolecularWeight: 396.4628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3S/c1-10-7-8-13-14(9-10)28-19(15(13)17(21)25)22-18(26)16-11-5-3-4-6-12(11)20(27)24(2)23-16/h3-6,10H,7-9H2,1-2H3,(H2,21,25)(H,22,26)