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

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxamide Openeye Name: 1-benzyl-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-oxo-pyridazine-3-carboxamide CAS Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-oxo-1-(phenylmethyl)-3-pyridazinecarboxamide IUPAC Name: 1-benzyl-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-oxopyridazine-3-carboxamide Traditional Name: 1-benzyl-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-keto-pyridazine-3-carboxamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C21H20N4O3S/c22-19(27)18-14-8-4-5-9-16(14)29-21(18)23-20(28)15-10-11-17(26)25(24-15)12-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9,12H2,(H2,22,27)(H,23,28)