2-[2-[3-tert-butyl-4-(dimethylaminomethyl)pyrazol-1-yl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-[3-tert-butyl-4-(dimethylaminomethyl)pyrazol-1-yl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-[3-tert-butyl-4-(dimethylaminomethyl)pyrazol-1-yl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[3-tert-butyl-4-(dimethylaminomethyl)-1-pyrazolyl]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-[3-tert-butyl-4-(dimethylaminomethyl)pyrazol-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[3-tert-butyl-4-(dimethylaminomethyl)pyrazol-1-yl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=C1CN(C)C)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

Isomeric SMILES

CC(C)(C)C1=NN(C=C1CN(C)C)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

InChI

InChI=1S/C21H31N5O2S/c1-21(2,3)18-13(10-25(4)5)11-26(24-18)12-16(27)23-20-17(19(22)28)14-8-6-7-9-15(14)29-20/h11H,6-10,12H2,1-5H3,(H2,22,28)(H,23,27)