N-[(6R)-3-aminocarbonyl-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-bromanyl-1-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[(6R)-3-aminocarbonyl-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-bromanyl-1-methyl-pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[(6R)-6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1-methyl-pyrazole-3-carboxamide CAS Name: 4-bromo-N-[(6R)-6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-methyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[(6R)-6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-methylpyrazole-3-carboxamide Traditional Name: 4-bromo-N-[(6R)-6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1-methyl-pyrazole-3-carboxamide Formula: C18H23BrN4O2S MolecularWeight: 439.36982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=NN(C=C3Br)C

Isomeric SMILES

CC(C)(C)[C@@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=NN(C=C3Br)C

InChI

InChI=1S/C18H23BrN4O2S/c1-18(2,3)9-5-6-10-12(7-9)26-17(13(10)15(20)24)21-16(25)14-11(19)8-23(4)22-14/h8-9H,5-7H2,1-4H3,(H2,20,24)(H,21,25)/t9-/m1/s1