N-[(6R)-6-tert-butyl-3-[(4-ethylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-ethyl-pyrazole-3-carboxamide

Systemtic Name: N-[(6R)-6-tert-butyl-3-[(4-ethylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-ethyl-pyrazole-3-carboxamide Openeye Name: N-[(6R)-6-tert-butyl-3-[(4-ethylphenyl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1-ethyl-pyrazole-3-carboxamide CAS Name: N-[(6R)-6-tert-butyl-3-[(4-ethylanilino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-ethyl-3-pyrazolecarboxamide IUPAC Name: N-[(6R)-6-tert-butyl-3-[(4-ethylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-ethylpyrazole-3-carboxamide Traditional Name: N-[(6R)-6-tert-butyl-3-[(4-ethylphenyl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1-ethyl-pyrazole-3-carboxamide Formula: C27H34N4O2S MolecularWeight: 478.64946

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCC(C3)C(C)(C)C)NC(=O)C4=NN(C=C4)CC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CC[C@H](C3)C(C)(C)C)NC(=O)C4=NN(C=C4)CC

InChI

InChI=1S/C27H34N4O2S/c1-6-17-8-11-19(12-9-17)28-25(33)23-20-13-10-18(27(3,4)5)16-22(20)34-26(23)29-24(32)21-14-15-31(7-2)30-21/h8-9,11-12,14-15,18H,6-7,10,13,16H2,1-5H3,(H,28,33)(H,29,32)/t18-/m1/s1