2-[[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]carbonylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide

Systemtic Name: 2-[[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]carbonylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide Openeye Name: 2-[[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide CAS Name: 2-[[[3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide IUPAC Name: 2-[[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide Traditional Name: 2-[[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide Formula: C24H27BrN4O2S MolecularWeight: 515.46578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NC3=C(C4=C(S3)CCCCCC4)C(=O)N)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NC3=C(C4=C(S3)CCCCCC4)C(=O)N)C)Br

InChI

InChI=1S/C24H27BrN4O2S/c1-14-21(25)15(2)29(28-14)13-16-8-7-9-17(12-16)23(31)27-24-20(22(26)30)18-10-5-3-4-6-11-19(18)32-24/h7-9,12H,3-6,10-11,13H2,1-2H3,(H2,26,30)(H,27,31)