(6R)-2-[4-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: (6R)-2-[4-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6R)-2-[4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6R)-2-[[4-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-1-oxobutyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6R)-2-[4-(4-bromo-5-methyl-3-nitropyrazol-1-yl)butanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6R)-2-[4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C18H22BrN5O4S MolecularWeight: 484.36738

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCCN3C(=C(C(=N3)[N+](=O)[O-])Br)C

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCCN3C(=C(C(=N3)[N+](=O)[O-])Br)C

InChI

InChI=1S/C18H22BrN5O4S/c1-9-5-6-11-12(8-9)29-18(14(11)16(20)26)21-13(25)4-3-7-23-10(2)15(19)17(22-23)24(27)28/h9H,3-8H2,1-2H3,(H2,20,26)(H,21,25)/t9-/m1/s1