N-[(E)-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylideneamino]-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(E)-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylideneamino]-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[(E)-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyleneamino]-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[(E)-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methylideneamino]-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[(E)-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyleneamino]-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C24H28N4OS MolecularWeight: 420.57032

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)NN=CC3=C(N(N=C3C)CC4=CC=CC=C4)C

Isomeric SMILES

CCC1CCC2=C(C1)C=C(S2)C(=O)N/N=C/C3=C(N(N=C3C)CC4=CC=CC=C4)C

InChI

InChI=1S/C24H28N4OS/c1-4-18-10-11-22-20(12-18)13-23(30-22)24(29)26-25-14-21-16(2)27-28(17(21)3)15-19-8-6-5-7-9-19/h5-9,13-14,18H,4,10-12,15H2,1-3H3,(H,26,29)/b25-14+