N-[(2S)-1-azanyl-3-cyclohexyl-propan-2-yl]-4-bromanyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-azanyl-3-cyclohexyl-propan-2-yl]-4-bromanyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide Openeye Name: N-[(1S)-1-(aminomethyl)-2-cyclohexyl-ethyl]-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide CAS Name: N-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-thiophenecarboxamide IUPAC Name: N-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide Traditional Name: N-[(1S)-1-(aminomethyl)-2-cyclohexyl-ethyl]-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide Formula: C21H25BrN4OS MolecularWeight: 461.4184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(CN)NC(=O)C2=CC(=C(S2)C3=C4C=CNC4=NC=C3)Br

Isomeric SMILES

C1CCC(CC1)C[C@@H](CN)NC(=O)C2=CC(=C(S2)C3=C4C=CNC4=NC=C3)Br

InChI

InChI=1S/C21H25BrN4OS/c22-17-11-18(21(27)26-14(12-23)10-13-4-2-1-3-5-13)28-19(17)15-6-8-24-20-16(15)7-9-25-20/h6-9,11,13-14H,1-5,10,12,23H2,(H,24,25)(H,26,27)/t14-/m0/s1