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

Systemtic Name: N-[(6S)-3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-ethyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-ethyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-ethyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-ethyl-4-keto-phthalazine-1-carboxamide Formula: C21H22N4O3S MolecularWeight: 410.48938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C4=C(S3)CC(CC4)C)C(=O)N

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C4=C(S3)C[C@H](CC4)C)C(=O)N

InChI

InChI=1S/C21H22N4O3S/c1-3-25-21(28)13-7-5-4-6-12(13)17(24-25)19(27)23-20-16(18(22)26)14-9-8-11(2)10-15(14)29-20/h4-7,11H,3,8-10H2,1-2H3,(H2,22,26)(H,23,27)/t11-/m0/s1