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

Systemtic Name: N-[3-[(4-ethylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methyl-pyrazole-3-carboxamide Openeye Name: N-[3-[(4-ethylphenyl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-methyl-pyrazole-3-carboxamide CAS Name: N-[3-[(4-ethylanilino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-[3-[(4-ethylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylpyrazole-3-carboxamide Traditional Name: N-[3-[(4-ethylphenyl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-methyl-pyrazole-3-carboxamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=NN4C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=NN4C

InChI

InChI=1S/C22H24N4O2S/c1-3-14-8-10-15(11-9-14)24-21(28)19-16-6-4-5-7-18(16)29-22(19)25-20(27)17-12-13-23-26(17)2/h8-13H,3-7H2,1-2H3,(H,24,28)(H,25,27)