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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,5-dimethyl-pyrazole-3-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1,5-dimethyl-pyrazole-3-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,5-dimethylpyrazole-3-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1,5-dimethyl-pyrazole-3-carboxamide Formula: C22H22N4OS2 MolecularWeight: 422.56628

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)C5=NN(C(=C5)C)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)C5=NN(C(=C5)C)C

InChI

InChI=1S/C22H22N4OS2/c1-12-8-9-14-18(10-12)29-22(24-20(27)16-11-13(2)26(3)25-16)19(14)21-23-15-6-4-5-7-17(15)28-21/h4-7,11-12H,8-10H2,1-3H3,(H,24,27)