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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=NN(C(=O)CC3)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=NN(C(=O)CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O3S/c1-12-7-8-14-16(11-12)29-21(18(14)19(22)27)23-20(28)15-9-10-17(26)25(24-15)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H2,22,27)(H,23,28)/t12-/m0/s1