N-[(2S)-1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[(2S)-1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]ethyl]thiophene-2-carboxamide Formula: C27H25N5O3S MolecularWeight: 499.5841

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CS5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CS5

InChI

InChI=1S/C27H25N5O3S/c1-17-24(27(35)32(31(17)2)19-9-4-3-5-10-19)30-25(33)22(29-26(34)23-13-8-14-36-23)15-18-16-28-21-12-7-6-11-20(18)21/h3-14,16,22,28H,15H2,1-2H3,(H,29,34)(H,30,33)/t22-/m0/s1