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

Systemtic Name: 2-methyl-N-[3-[(3-methylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrazole-3-carboxamide Openeye Name: 2-methyl-N-[3-(m-tolylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyrazole-3-carboxamide CAS Name: 2-methyl-N-[3-[(3-methylanilino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-pyrazolecarboxamide IUPAC Name: 2-methyl-N-[3-[(3-methylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrazole-3-carboxamide Traditional Name: 2-methyl-N-[3-(m-tolylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyrazole-3-carboxamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=NN4C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=NN4C

InChI

InChI=1S/C21H22N4O2S/c1-13-6-5-7-14(12-13)23-20(27)18-15-8-3-4-9-17(15)28-21(18)24-19(26)16-10-11-22-25(16)2/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,23,27)(H,24,26)