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

Systemtic Name: N-[(6S)-3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3,5-dimethyl-pyrazole-4-carboxamide CAS Name: N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3,5-dimethylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3,5-dimethyl-pyrazole-4-carboxamide Formula: C23H26N4O2S MolecularWeight: 422.54314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(N(N=C3C)CC4=CC=CC=C4)C

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(N(N=C3C)CC4=CC=CC=C4)C

InChI

InChI=1S/C23H26N4O2S/c1-13-9-10-17-18(11-13)30-23(20(17)21(24)28)25-22(29)19-14(2)26-27(15(19)3)12-16-7-5-4-6-8-16/h4-8,13H,9-12H2,1-3H3,(H2,24,28)(H,25,29)/t13-/m0/s1