(6S)-N-cyclohexyl-2-[(1,5-dimethylpyrazol-4-yl)methylideneamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: (6S)-N-cyclohexyl-2-[(1,5-dimethylpyrazol-4-yl)methylideneamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-N-cyclohexyl-2-[(1,5-dimethylpyrazol-4-yl)methyleneamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-N-cyclohexyl-2-[(1,5-dimethyl-4-pyrazolyl)methylideneamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-N-cyclohexyl-2-[(1,5-dimethylpyrazol-4-yl)methylideneamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-N-cyclohexyl-2-[(1,5-dimethylpyrazol-4-yl)methyleneamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)NC3CCCCC3)N=CC4=C(N(N=C4)C)C

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)NC3CCCCC3)N=CC4=C(N(N=C4)C)C

InChI

InChI=1S/C22H30N4OS/c1-14-9-10-18-19(11-14)28-22(23-12-16-13-24-26(3)15(16)2)20(18)21(27)25-17-7-5-4-6-8-17/h12-14,17H,4-11H2,1-3H3,(H,25,27)/t14-/m0/s1