N-(4-dimethylaminophenyl)-2-[(2-fluorophenyl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(4-dimethylaminophenyl)-2-[(2-fluorophenyl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(4-dimethylaminophenyl)-2-[(2-fluorobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(4-dimethylaminophenyl)-2-[[(2-fluorophenyl)-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(4-dimethylaminophenyl)-2-[(2-fluorobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(4-dimethylaminophenyl)-2-[(2-fluorobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C25H26FN3O2S MolecularWeight: 451.556243

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)NC3=CC=C(C=C3)N(C)C)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)NC3=CC=C(C=C3)N(C)C)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C25H26FN3O2S/c1-15-8-13-19-21(14-15)32-25(28-23(30)18-6-4-5-7-20(18)26)22(19)24(31)27-16-9-11-17(12-10-16)29(2)3/h4-7,9-12,15H,8,13-14H2,1-3H3,(H,27,31)(H,28,30)