5-bromanyl-N-[1-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methylamino]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: 5-bromanyl-N-[1-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methylamino]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide Openeye Name: 5-bromo-N-[2-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methylamino]-1-methyl-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: 5-bromo-N-[1-[[3-[(3,5-dimethyl-1-pyrazolyl)methyl]phenyl]methylamino]-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: 5-bromo-N-[1-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: 5-bromo-N-[2-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzyl]amino]-2-keto-1-methyl-ethyl]thiophene-2-carboxamide Formula: C21H23BrN4O2S MolecularWeight: 475.40192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC(=CC=C2)CNC(=O)C(C)NC(=O)C3=CC=C(S3)Br)C

Isomeric SMILES

CC1=CC(=NN1CC2=CC(=CC=C2)CNC(=O)C(C)NC(=O)C3=CC=C(S3)Br)C

InChI

InChI=1S/C21H23BrN4O2S/c1-13-9-14(2)26(25-13)12-17-6-4-5-16(10-17)11-23-20(27)15(3)24-21(28)18-7-8-19(22)29-18/h4-10,15H,11-12H2,1-3H3,(H,23,27)(H,24,28)